N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine

C15H33N3 — CID 55081442

IUPACN,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
SMILESCC(C)CNCC1CCN(CC(C)(C)N(C)C)C1
InChIInChI=1S/C15H33N3/c1-13(2)9-16-10-14-7-8-18(11-14)12-15(3,4)17(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyVQSOBHNIZHAYAH-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.89
Rot. Bonds7

About N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine

N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine (PubChem CID 55081442) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
PubChem CID55081442
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
SMILESCC(C)CNCC1CCN(CC(C)(C)N(C)C)C1
InChIInChI=1S/C15H33N3/c1-13(2)9-16-10-14-7-8-18(11-14)12-15(3,4)17(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyVQSOBHNIZHAYAH-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513271
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512074
N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine
CID 62512940
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63829128
tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722256
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine (CID 55081442) is N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine is CC(C)CNCC1CCN(CC(C)(C)N(C)C)C1.
What is the InChIKey of N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine?
The InChIKey is VQSOBHNIZHAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)9-16-10-14-7-8-18(11-14)12-15(3,4)17(5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine?
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine is sourced from PubChem (CID 55081442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).