[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine

C16H32N2 — CID 43080333

IUPAC[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
SMILESCC1CC(C)CN(C2(CN)CCCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-14-10-15(2)12-18(11-14)16(13-17)8-6-4-3-5-7-9-16/h14-15H,3-13,17H2,1-2H3
InChIKeyKDSLMOCBCDULJO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds2

About [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine

[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine (PubChem CID 43080333) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
PubChem CID43080333
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
SMILESCC1CC(C)CN(C2(CN)CCCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-14-10-15(2)12-18(11-14)16(13-17)8-6-4-3-5-7-9-16/h14-15H,3-13,17H2,1-2H3
InChIKeyKDSLMOCBCDULJO-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509
[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 114592494
1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464681
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
CID 82398069
[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
CID 114592541
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine?
The IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine (CID 43080333) is [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine?
The canonical SMILES for [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine is CC1CC(C)CN(C2(CN)CCCCCCC2)C1.
What is the InChIKey of [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine?
The InChIKey is KDSLMOCBCDULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-10-15(2)12-18(11-14)16(13-17)8-6-4-3-5-7-9-16/h14-15H,3-13,17H2,1-2H3.
What are the key properties of [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine?
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine is sourced from PubChem (CID 43080333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).