[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine

C16H32N2 — CID 115444989

IUPAC[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine
SMILESCC1CCCC(C)N1CC1(CN)CCCCCC1
InChIInChI=1S/C16H32N2/c1-14-8-7-9-15(2)18(14)13-16(12-17)10-5-3-4-6-11-16/h14-15H,3-13,17H2,1-2H3
InChIKeyOIOOVHIWSROLNB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds3

About [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine

[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine (PubChem CID 115444989) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine
PubChem CID115444989
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine
SMILESCC1CCCC(C)N1CC1(CN)CCCCCC1
InChIInChI=1S/C16H32N2/c1-14-8-7-9-15(2)18(14)13-16(12-17)10-5-3-4-6-11-16/h14-15H,3-13,17H2,1-2H3
InChIKeyOIOOVHIWSROLNB-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanamine
CID 104967782
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol
CID 104969264
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
[1-[(2-methylpiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 82171577
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64679083
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
CID 114196547
[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 63217988
[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
CID 114221232
[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 83221060

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine (CID 115444989) is [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine is CC1CCCC(C)N1CC1(CN)CCCCCC1.
What is the InChIKey of [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine?
The InChIKey is OIOOVHIWSROLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-8-7-9-15(2)18(14)13-16(12-17)10-5-3-4-6-11-16/h14-15H,3-13,17H2,1-2H3.
What are the key properties of [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine?
[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 115444989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).