[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine

C16H32N2 — CID 65085772

IUPAC[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
SMILESCCC1CCCC(N2CCCC(C)C2CN)CC1
InChIInChI=1S/C16H32N2/c1-3-14-7-4-8-15(10-9-14)18-11-5-6-13(2)16(18)12-17/h13-16H,3-12,17H2,1-2H3
InChIKeyQMUCMGQJKOFXRY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

About [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine

[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 65085772) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID65085772
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
SMILESCCC1CCCC(N2CCCC(C)C2CN)CC1
InChIInChI=1S/C16H32N2/c1-3-14-7-4-8-15(10-9-14)18-11-5-6-13(2)16(18)12-17/h13-16H,3-12,17H2,1-2H3
InChIKeyQMUCMGQJKOFXRY-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopropyl-3-methylpiperidin-2-yl)methanamine
CID 103439574
[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
CID 65085773
[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 130622217
[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
CID 65077738
1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316266
1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
CID 65087297
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
1-(4-ethylcycloheptyl)azetidin-3-amine
CID 65244485
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77054607
[4-ethyl-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 103351783
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine (CID 65085772) is [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine is CCC1CCCC(N2CCCC(C)C2CN)CC1.
What is the InChIKey of [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is QMUCMGQJKOFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-14-7-4-8-15(10-9-14)18-11-5-6-13(2)16(18)12-17/h13-16H,3-12,17H2,1-2H3.
What are the key properties of [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
[1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 65085772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).