1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine

C15H25N3 — CID 80706158

IUPAC1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESCN(Cc1ccccn1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C15H25N3/c1-14(2)7-8-15(11-14,12-16)18(3)10-13-6-4-5-9-17-13/h4-6,9H,7-8,10-12,16H2,1-3H3
InChIKeyOZQZIIJZNFKOLZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.42
Rot. Bonds4

About 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine

1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 80706158) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
PubChem CID80706158
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESCN(Cc1ccccn1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C15H25N3/c1-14(2)7-8-15(11-14,12-16)18(3)10-13-6-4-5-9-17-13/h4-6,9H,7-8,10-12,16H2,1-3H3
InChIKeyOZQZIIJZNFKOLZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 115999031
1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 43564802
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
CID 80705886
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 80705336
1-(aminomethyl)-N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 103563079
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
ethane;pyridin-2-ylmethanamine
CID 90791011
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 62390958
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 104678721
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline
CID 80705980

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine (CID 80706158) is 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine is CN(Cc1ccccn1)C1(CN)CCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is OZQZIIJZNFKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2)7-8-15(11-14,12-16)18(3)10-13-6-4-5-9-17-13/h4-6,9H,7-8,10-12,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 80706158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).