bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine

C106H148N22O — CID 159063488

IUPACbis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ccc2[nH]ncc2c1.CC(C)(C)NCc1cccc2cnccc12.CC(C)(C)NCc1ccnc2ccccc12.CC(NC(C)(C)C)c1ccc2[nH]ncc2c1.CC(NC(C)(C)C)c1ccc2c(c1)CC(=O)N2.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccnc2ccccc12
InChIInChI=1S/C15H20N2.C14H20N2O.2C14H18N2.C13H19N3.2C12H18N4.C12H17N3/c1-11(17-15(2,3)4)12-9-10-16-14-8-6-5-7-13(12)14;1-9(16-14(2,3)4)10-5-6-12-11(7-10)8-13(17)15-12;1-14(2,3)16-10-12-6-4-5-11-9-15-8-7-13(11)12;1-14(2,3)16-10-11-8-9-15-13-7-5-4-6-12(11)13;1-9(15-13(2,3)4)10-5-6-12-11(7-10)8-14-16-12;2*1-8(13-12(2,3)4)9-5-6-10-11(7-9)15-16-14-10;1-12(2,3)13-7-9-4-5-11-10(6-9)8-14-15-11/h5-11,17H,1-4H3;5-7,9,16H,8H2,1-4H3,(H,15,17);2*4-9,16H,10H2,1-3H3;5-9,15H,1-4H3,(H,14,16);2*5-8,13H,1-4H3,(H,14,15,16);4-6,8,13H,7H2,1-3H3,(H,14,15)/t11-;;;;;2*8-;/m1....11./s1
InChIKeyJYTNBZNUBITHCD-PHPWACGESA-N
MW1746.50 g/mol
LogP22.84
Rot. Bonds16

About bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine

bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine (PubChem CID 159063488) has the molecular formula C106H148N22O and a molecular weight of 1746.50 g/mol. Its IUPAC name is bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Namebis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine
PubChem CID159063488
Molecular FormulaC106H148N22O
Molecular Weight1746.50 g/mol
Exact Mass1745.22
IUPAC Namebis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ccc2[nH]ncc2c1.CC(C)(C)NCc1cccc2cnccc12.CC(C)(C)NCc1ccnc2ccccc12.CC(NC(C)(C)C)c1ccc2[nH]ncc2c1.CC(NC(C)(C)C)c1ccc2c(c1)CC(=O)N2.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccnc2ccccc12
InChIInChI=1S/C15H20N2.C14H20N2O.2C14H18N2.C13H19N3.2C12H18N4.C12H17N3/c1-11(17-15(2,3)4)12-9-10-16-14-8-6-5-7-13(12)14;1-9(16-14(2,3)4)10-5-6-12-11(7-10)8-13(17)15-12;1-14(2,3)16-10-12-6-4-5-11-9-15-8-7-13(11)12;1-14(2,3)16-10-11-8-9-15-13-7-5-4-6-12(11)13;1-9(15-13(2,3)4)10-5-6-12-11(7-10)8-14-16-12;2*1-8(13-12(2,3)4)9-5-6-10-11(7-9)15-16-14-10;1-12(2,3)13-7-9-4-5-11-10(6-9)8-14-15-11/h5-11,17H,1-4H3;5-7,9,16H,8H2,1-4H3,(H,15,17);2*4-9,16H,10H2,1-3H3;5-9,15H,1-4H3,(H,14,16);2*5-8,13H,1-4H3,(H,14,15,16);4-6,8,13H,7H2,1-3H3,(H,14,15)/t11-;;;;;2*8-;/m1....11./s1
InChIKeyJYTNBZNUBITHCD-PHPWACGESA-N
XLogP22.84
TPSA304.51 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001746.50
LogP ≤ 522.84
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine?
The IUPAC name of bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine (CID 159063488) is bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine?
The canonical SMILES for bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine is CC(C)(C)NCc1ccc2[nH]ncc2c1.CC(C)(C)NCc1cccc2cnccc12.CC(C)(C)NCc1ccnc2ccccc12.CC(NC(C)(C)C)c1ccc2[nH]ncc2c1.CC(NC(C)(C)C)c1ccc2c(c1)CC(=O)N2.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccc2n[nH]nc2c1.C[C@@H](NC(C)(C)C)c1ccnc2ccccc12.
What is the InChIKey of bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine?
The InChIKey is JYTNBZNUBITHCD-PHPWACGESA-N. The full InChI is InChI=1S/C15H20N2.C14H20N2O.2C14H18N2.C13H19N3.2C12H18N4.C12H17N3/c1-11(17-15(2,3)4)12-9-10-16-14-8-6-5-7-13(12)14;1-9(16-14(2,3)4)10-5-6-12-11(7-10)8-13(17)15-12;1-14(2,3)16-10-12-6-4-5-11-9-15-8-7-13(11)12;1-14(2,3)16-10-11-8-9-15-13-7-5-4-6-12(11)13;1-9(15-13(2,3)4)10-5-6-12-11(7-10)8-14-16-12;2*1-8(13-12(2,3)4)9-5-6-10-11(7-9)15-16-14-10;1-12(2,3)13-7-9-4-5-11-10(6-9)8-14-15-11/h5-11,17H,1-4H3;5-7,9,16H,8H2,1-4H3,(H,15,17);2*4-9,16H,10H2,1-3H3;5-9,15H,1-4H3,(H,14,16);2*5-8,13H,1-4H3,(H,14,15,16);4-6,8,13H,7H2,1-3H3,(H,14,15)/t11-;;;;;2*8-;/m1....11./s1.
What are the key properties of bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine?
bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine has a molecular weight of 1746.50 g/mol, XLogP of 22.84, 16 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-methylpropan-2-amine);5-[1-(tert-butylamino)ethyl]-1,3-dihydroindol-2-one;N-[1-(1H-indazol-5-yl)ethyl]-2-methylpropan-2-amine;N-(1H-indazol-5-ylmethyl)-2-methylpropan-2-amine;N-(isoquinolin-5-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(1R)-1-quinolin-4-ylethyl]propan-2-amine;2-methyl-N-(quinolin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 159063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).