[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine

C16H32N2 — CID 65084940

IUPAC[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-14-6-4-9-16(12-17,10-7-14)18-11-5-8-15(2,3)13-18/h14H,4-13,17H2,1-3H3
InChIKeyNLWJPYVCAGTTLG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds2

About [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine

[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine (PubChem CID 65084940) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
PubChem CID65084940
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-14-6-4-9-16(12-17,10-7-14)18-11-5-8-15(2,3)13-18/h14H,4-13,17H2,1-3H3
InChIKeyNLWJPYVCAGTTLG-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-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509
[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
CID 65085146
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The IUPAC name of [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine (CID 65084940) is [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The canonical SMILES for [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine is CC1CCCC(CN)(N2CCCC(C)(C)C2)CC1.
What is the InChIKey of [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The InChIKey is NLWJPYVCAGTTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-6-4-9-16(12-17,10-7-14)18-11-5-8-15(2,3)13-18/h14H,4-13,17H2,1-3H3.
What are the key properties of [1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine?
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]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-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine is sourced from PubChem (CID 65084940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).