1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine

C14H29NO — CID 116766531

IUPAC1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-6-12(3)13(15-4)14(16-5)9-7-11(2)8-10-14/h11-13,15H,6-10H2,1-5H3
InChIKeyOJENOLMYMLRMMW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds5

About 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine

1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine (PubChem CID 116766531) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
PubChem CID116766531
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-6-12(3)13(15-4)14(16-5)9-7-11(2)8-10-14/h11-13,15H,6-10H2,1-5H3
InChIKeyOJENOLMYMLRMMW-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116767228
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
[3-ethyl-1-(1-methoxy-4-methylcyclohexyl)pentyl]hydrazine
CID 105277200
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
CID 116766221
2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762975
1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
CID 116766560
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
CID 116770246
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
CID 116767848
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
CID 116764745
1-(1-methoxycyclobutyl)-2-methyl-N-propylbutan-1-amine
CID 116714936

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine (CID 116766531) is 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
The InChIKey is OJENOLMYMLRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-12(3)13(15-4)14(16-5)9-7-11(2)8-10-14/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine?
1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116766531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).