2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine

C18H37NO — CID 116761523

IUPAC2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(C1CCCCC1CC)C(CC)(CC)OC
InChIInChI=1S/C18H37NO/c1-6-14-19-17(18(8-3,9-4)20-5)16-13-11-10-12-15(16)7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyDNKBDHXGNDUJPM-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine

2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine (PubChem CID 116761523) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
PubChem CID116761523
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(C1CCCCC1CC)C(CC)(CC)OC
InChIInChI=1S/C18H37NO/c1-6-14-19-17(18(8-3,9-4)20-5)16-13-11-10-12-15(16)7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyDNKBDHXGNDUJPM-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

N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
CID 116761289
N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65420427
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220
1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
CID 79058322
1-(2-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063279
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133118
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine (CID 116761523) is 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine is CCCNC(C1CCCCC1CC)C(CC)(CC)OC.
What is the InChIKey of 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
The InChIKey is DNKBDHXGNDUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-14-19-17(18(8-3,9-4)20-5)16-13-11-10-12-15(16)7-2/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine?
2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-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 2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116761523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).