1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine

C17H34N2 — CID 64739146

IUPAC1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-5-18-15(4)16-7-6-10-19(12-16)17-9-8-13(2)14(3)11-17/h13-18H,5-12H2,1-4H3
InChIKeyVNGOILVFHBUHTF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine

1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine (PubChem CID 64739146) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine
PubChem CID64739146
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-5-18-15(4)16-7-6-10-19(12-16)17-9-8-13(2)14(3)11-17/h13-18H,5-12H2,1-4H3
InChIKeyVNGOILVFHBUHTF-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
N-methyl-1-[1-(4-methylcyclohexyl)piperidin-3-yl]ethanamine
CID 64748054
N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
CID 64738282
1-cyclopentyl-N-ethylethanamine
CID 60819244
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
2-(3,4-dimethylcyclohexyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926802
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64740198
N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine (CID 64739146) is 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine is CCNC(C)C1CCCN(C2CCC(C)C(C)C2)C1.
What is the InChIKey of 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine?
The InChIKey is VNGOILVFHBUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-18-15(4)16-7-6-10-19(12-16)17-9-8-13(2)14(3)11-17/h13-18H,5-12H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine?
1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 64739146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).