1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

C16H27N3 — CID 80705437

IUPAC1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCC(C)(C)C2)n1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-14(18-13)10-19(4)16(12-17)9-8-15(2,3)11-16/h5-7H,8-12,17H2,1-4H3
InChIKeyAVINEOYPXVYQMQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.73
Rot. Bonds4

About 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 80705437) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID80705437
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCC(C)(C)C2)n1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-14(18-13)10-19(4)16(12-17)9-8-15(2,3)11-16/h5-7H,8-12,17H2,1-4H3
InChIKeyAVINEOYPXVYQMQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.73
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
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 113311854
[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol
CID 100596277
1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine
CID 79262677
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
1-[(6-methyl-2-pyridinyl)methyl]cyclopropan-1-amine
CID 130515545
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline
CID 115913301
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethenamine
CID 167486636
2-(aminomethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004724
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (CID 80705437) is 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is Cc1cccc(CN(C)C2(CN)CCC(C)(C)C2)n1.
What is the InChIKey of 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is AVINEOYPXVYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-5-7-14(18-13)10-19(4)16(12-17)9-8-15(2,3)11-16/h5-7H,8-12,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.73, 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-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80705437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).