N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine

C16H32N2O — CID 102965548

IUPACN-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1N1CCCC(OC)C1
InChIInChI=1S/C16H32N2O/c1-5-17-14-8-9-16(2,3)11-15(14)18-10-6-7-13(12-18)19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyXZCMCKJIGMJNBX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds4

About N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine

N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 102965548) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
PubChem CID102965548
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1N1CCCC(OC)C1
InChIInChI=1S/C16H32N2O/c1-5-17-14-8-9-16(2,3)11-15(14)18-10-6-7-13(12-18)19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyXZCMCKJIGMJNBX-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 65281267
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 103538949
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532122
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)cyclooctan-1-amine
CID 107392190
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 102967584
N-ethyl-2-[2-(3-methoxypiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 102965669
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine (CID 102965548) is N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1N1CCCC(OC)C1.
What is the InChIKey of N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is XZCMCKJIGMJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-14-8-9-16(2,3)11-15(14)18-10-6-7-13(12-18)19-4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine?
N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102965548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).