1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C16H31NO — CID 103559423

IUPAC1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H31NO/c1-12-6-7-14(10-13(12)2)15(17-3)11-16(18-4)8-5-9-16/h12-15,17H,5-11H2,1-4H3
InChIKeyFQAWGXPNAULTDY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103559423) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103559423
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H31NO/c1-12-6-7-14(10-13(12)2)15(17-3)11-16(18-4)8-5-9-16/h12-15,17H,5-11H2,1-4H3
InChIKeyFQAWGXPNAULTDY-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-3-(1-methoxyethyl)-N-methylbicyclo[4.2.0]octan-7-amine
CID 164081695
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
3-methoxy-N-methyl-1-(3-methylcyclohexyl)propan-1-amine
CID 62605250
1-(3-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
CID 64251885
1-(3,5-dimethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
CID 64728903
1-(3,4-dimethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
CID 64738843
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methoxypropan-1-amine
CID 64738844
1-(3,4-dimethylcyclohexyl)-3-methoxy-N-propylpropan-1-amine
CID 64738845
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 64739843
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 64739844
1-(4-ethylcyclohexyl)-3-methoxy-N-methylpropan-1-amine
CID 64776048
1-(3,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 65092394

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103559423) is 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is FQAWGXPNAULTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-6-7-14(10-13(12)2)15(17-3)11-16(18-4)8-5-9-16/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103559423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).