1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine

C18H37N — CID 115846127

IUPAC1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCCCC1CCC(C(CC(C)CC)NCC)CC1
InChIInChI=1S/C18H37N/c1-5-8-9-16-10-12-17(13-11-16)18(19-7-3)14-15(4)6-2/h15-19H,5-14H2,1-4H3
InChIKeyCEXOKVLSDGAXOI-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine

1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 115846127) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
PubChem CID115846127
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCCCC1CCC(C(CC(C)CC)NCC)CC1
InChIInChI=1S/C18H37N/c1-5-8-9-16-10-12-17(13-11-16)18(19-7-3)14-15(4)6-2/h15-19H,5-14H2,1-4H3
InChIKeyCEXOKVLSDGAXOI-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
CID 105155241
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine (CID 115846127) is 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine is CCCCC1CCC(C(CC(C)CC)NCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is CEXOKVLSDGAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-8-9-16-10-12-17(13-11-16)18(19-7-3)14-15(4)6-2/h15-19H,5-14H2,1-4H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine?
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 115846127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).