1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine

C16H32N2 — CID 54975630

IUPAC1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(C2CCCC(C)C2C)CC1C
InChIInChI=1S/C16H32N2/c1-5-17-15-9-10-18(11-13(15)3)16-8-6-7-12(2)14(16)4/h12-17H,5-11H2,1-4H3
InChIKeyNFOPURKDXAIDSL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine

1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 54975630) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID54975630
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(C2CCCC(C)C2C)CC1C
InChIInChI=1S/C16H32N2/c1-5-17-15-9-10-18(11-13(15)3)16-8-6-7-12(2)14(16)4/h12-17H,5-11H2,1-4H3
InChIKeyNFOPURKDXAIDSL-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
CID 64942536
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
N-ethyl-3-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 114499328
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941
2-[1-(2,3-dimethylcyclohexyl)piperidin-4-yl]ethanamine
CID 64755587
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498941
N-ethyl-2-(3-propylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417305
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
CID 79166371

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine (CID 54975630) is 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(C2CCCC(C)C2C)CC1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is NFOPURKDXAIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-17-15-9-10-18(11-13(15)3)16-8-6-7-12(2)14(16)4/h12-17H,5-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).