2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

C16H31NO — CID 116769375

IUPAC2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-15(2)8-10-16(18-4,11-9-15)14(17-3)12-13-6-5-7-13/h13-14,17H,5-12H2,1-4H3
InChIKeySPLNANFDPABRDQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 116769375) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID116769375
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-15(2)8-10-16(18-4,11-9-15)14(17-3)12-13-6-5-7-13/h13-14,17H,5-12H2,1-4H3
InChIKeySPLNANFDPABRDQ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610813
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
[1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105277972
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
[2-cyclopropyl-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275891
2-cyclopropyl-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 104986588
3-cyclopentyl-1-(4-methoxyoxan-4-yl)-N-methylpropan-1-amine
CID 114192281
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine
CID 116769495
2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754535

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (CID 116769375) is 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is CNC(CC1CCC1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is SPLNANFDPABRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)8-10-16(18-4,11-9-15)14(17-3)12-13-6-5-7-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116769375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).