[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine

C15H23ClN2 — CID 80603981

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
SMILESNCC1(Cc2ccncc2Cl)CCCCCCC1
InChIInChI=1S/C15H23ClN2/c16-14-11-18-9-6-13(14)10-15(12-17)7-4-2-1-3-5-8-15/h6,9,11H,1-5,7-8,10,12,17H2
InChIKeyLOIQHPJCDULZEQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.97
Rot. Bonds3

About [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine

[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine (PubChem CID 80603981) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
PubChem CID80603981
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
SMILESNCC1(Cc2ccncc2Cl)CCCCCCC1
InChIInChI=1S/C15H23ClN2/c16-14-11-18-9-6-13(14)10-15(12-17)7-4-2-1-3-5-8-15/h6,9,11H,1-5,7-8,10,12,17H2
InChIKeyLOIQHPJCDULZEQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
CID 66024332
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243834
[1-(naphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 65391703
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
CID 120836940

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine (CID 80603981) is [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine is NCC1(Cc2ccncc2Cl)CCCCCCC1.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine?
The InChIKey is LOIQHPJCDULZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c16-14-11-18-9-6-13(14)10-15(12-17)7-4-2-1-3-5-8-15/h6,9,11H,1-5,7-8,10,12,17H2.
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine?
[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine is sourced from PubChem (CID 80603981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).