4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine

C16H33NO — CID 105155901

IUPAC4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)C1CCCC(C)C1
InChIInChI=1S/C16H33NO/c1-5-9-17-16(11-14(3)12-18-4)15-8-6-7-13(2)10-15/h13-17H,5-12H2,1-4H3
InChIKeySJSWPAQDSBKDOM-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine

4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine (PubChem CID 105155901) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
PubChem CID105155901
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)C1CCCC(C)C1
InChIInChI=1S/C16H33NO/c1-5-9-17-16(11-14(3)12-18-4)15-8-6-7-13(2)10-15/h13-17H,5-12H2,1-4H3
InChIKeySJSWPAQDSBKDOM-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 105156016
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-methoxy-N-[1-(3-methylcyclohexyl)ethyl]butan-2-amine
CID 115724110
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
N-[(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 104992139
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 104992048
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 83175112

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine (CID 105155901) is 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine is CCCNC(CC(C)COC)C1CCCC(C)C1.
What is the InChIKey of 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine?
The InChIKey is SJSWPAQDSBKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-9-17-16(11-14(3)12-18-4)15-8-6-7-13(2)10-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine?
4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105155901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).