4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

C14H29NO — CID 105156016

IUPAC4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCNC(CC(C)COC)C1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-11-6-5-7-13(8-11)14(15-3)9-12(2)10-16-4/h11-15H,5-10H2,1-4H3
InChIKeyCZCAPHIUWVOBAZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (PubChem CID 105156016) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
PubChem CID105156016
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCNC(CC(C)COC)C1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-11-6-5-7-13(8-11)14(15-3)9-12(2)10-16-4/h11-15H,5-10H2,1-4H3
InChIKeyCZCAPHIUWVOBAZ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105154616
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine
CID 79178266
1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine
CID 115724110
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
[1-(3-methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105210429
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (CID 105156016) is 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is CNC(CC(C)COC)C1CCCC(C)C1.
What is the InChIKey of 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The InChIKey is CZCAPHIUWVOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11-6-5-7-13(8-11)14(15-3)9-12(2)10-16-4/h11-15H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 105156016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).