N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine

C16H27N3 — CID 107875696

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2(CN)CCCC2)nc1
InChIInChI=1S/C16H27N3/c1-15(2,3)13-6-7-14(18-10-13)19-12-16(11-17)8-4-5-9-16/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3,(H,18,19)
InChIKeyHPEORXQMZAPFNW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.31
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine

N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine (PubChem CID 107875696) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
PubChem CID107875696
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2(CN)CCCC2)nc1
InChIInChI=1S/C16H27N3/c1-15(2,3)13-6-7-14(18-10-13)19-12-16(11-17)8-4-5-9-16/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3,(H,18,19)
InChIKeyHPEORXQMZAPFNW-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 107874814
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055
5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
CID 114011595
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyridin-2-amine
CID 115366027
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-methylquinoxalin-2-amine
CID 103970448
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyrazin-2-amine
CID 113295240
N-[[1-(aminomethyl)cyclopropyl]methyl]-5,6-dimethylpyrazin-2-amine
CID 114477674
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine (CID 107875696) is N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine is CC(C)(C)c1ccc(NCC2(CN)CCCC2)nc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine?
The InChIKey is HPEORXQMZAPFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2,3)13-6-7-14(18-10-13)19-12-16(11-17)8-4-5-9-16/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine is sourced from PubChem (CID 107875696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).