2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C16H32N2O — CID 64735456

IUPAC2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCOC1CCCN(CC2C(C)CC(C)CC2N)C1
InChIInChI=1S/C16H32N2O/c1-4-19-14-6-5-7-18(10-14)11-15-13(3)8-12(2)9-16(15)17/h12-16H,4-11,17H2,1-3H3
InChIKeyHPGLNNIDPBYAPK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.50
Rot. Bonds4

About 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735456) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64735456
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCOC1CCCN(CC2C(C)CC(C)CC2N)C1
InChIInChI=1S/C16H32N2O/c1-4-19-14-6-5-7-18(10-14)11-15-13(3)8-12(2)9-16(15)17/h12-16H,4-11,17H2,1-3H3
InChIKeyHPGLNNIDPBYAPK-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735093
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609685
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64735456) is 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CCOC1CCCN(CC2C(C)CC(C)CC2N)C1.
What is the InChIKey of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is HPGLNNIDPBYAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-19-14-6-5-7-18(10-14)11-15-13(3)8-12(2)9-16(15)17/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).