1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C18H37NO — CID 103035736

IUPAC1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCC(CC)C1
InChIInChI=1S/C18H37NO/c1-6-13-19-17(11-12-18(3,4)20-5)16-10-8-9-15(7-2)14-16/h15-17,19H,6-14H2,1-5H3
InChIKeyZQVUAAFYPLVOKJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103035736) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103035736
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCCC(CC)C1
InChIInChI=1S/C18H37NO/c1-6-13-19-17(11-12-18(3,4)20-5)16-10-8-9-15(7-2)14-16/h15-17,19H,6-14H2,1-5H3
InChIKeyZQVUAAFYPLVOKJ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
1-cyclobutyl-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032134
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
3-methoxy-3-methyl-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 103028585
1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
CID 103035740
1-(4-ethylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103035720
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103035736) is 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is ZQVUAAFYPLVOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-13-19-17(11-12-18(3,4)20-5)16-10-8-9-15(7-2)14-16/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103035736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).