N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine

C15H21N5 — CID 86922272

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C15H21N5/c1-11(2)15(12-6-4-3-5-7-12)16-10-14-17-18-19-20(14)13-8-9-13/h3-7,11,13,15-16H,8-10H2,1-2H3
InChIKeyAUSKFVWLRIFLLP-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.49
Rot. Bonds6

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 86922272) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID86922272
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C15H21N5/c1-11(2)15(12-6-4-3-5-7-12)16-10-14-17-18-19-20(14)13-8-9-13/h3-7,11,13,15-16H,8-10H2,1-2H3
InChIKeyAUSKFVWLRIFLLP-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
CID 62109806
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
CID 54896093
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 80715224
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
3,5-dichloro-N-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylaniline
CID 146129530
ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 3702393
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 86922272) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is AUSKFVWLRIFLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)15(12-6-4-3-5-7-12)16-10-14-17-18-19-20(14)13-8-9-13/h3-7,11,13,15-16H,8-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 86922272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).