N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

C17H34N2 — CID 64736016

IUPACN-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN1CCCC(C)C1
InChIInChI=1S/C17H34N2/c1-5-18-17-10-14(3)9-15(4)16(17)12-19-8-6-7-13(2)11-19/h13-18H,5-12H2,1-4H3
InChIKeyOOPBSPIAXYMZOR-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.38
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 64736016) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID64736016
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN1CCCC(C)C1
InChIInChI=1S/C17H34N2/c1-5-18-17-10-14(3)9-15(4)16(17)12-19-8-6-7-13(2)11-19/h13-18H,5-12H2,1-4H3
InChIKeyOOPBSPIAXYMZOR-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 106589038
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967290
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
CID 79945669
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310026
N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
CID 79164305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 64736016) is N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is CCNC1CC(C)CC(C)C1CN1CCCC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is OOPBSPIAXYMZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-18-17-10-14(3)9-15(4)16(17)12-19-8-6-7-13(2)11-19/h13-18H,5-12H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64736016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).