1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine

C17H35N — CID 104990778

IUPAC1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(C)C(C)C
InChIInChI=1S/C17H35N/c1-6-12-18-17(14(5)13(3)4)16-10-8-15(7-2)9-11-16/h13-18H,6-12H2,1-5H3
InChIKeyXNWPPGOKTCRKRF-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds7

About 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine

1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 104990778) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID104990778
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(C)C(C)C
InChIInChI=1S/C17H35N/c1-6-12-18-17(14(5)13(3)4)16-10-8-15(7-2)9-11-16/h13-18H,6-12H2,1-5H3
InChIKeyXNWPPGOKTCRKRF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 104990778) is 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(C1CCC(CC)CC1)C(C)C(C)C.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is XNWPPGOKTCRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-12-18-17(14(5)13(3)4)16-10-8-15(7-2)9-11-16/h13-18H,6-12H2,1-5H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 104990778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).