2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine

C17H35N — CID 63403718

IUPAC2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CCC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-12-18-16-9-8-14(7-2)13-15(16)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyJPGQMWOCHJTYBV-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds6

About 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine

2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 63403718) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID63403718
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CCC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-12-18-16-9-8-14(7-2)13-15(16)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyJPGQMWOCHJTYBV-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
4-(3,3-dimethylbutyl)-N-propylthiolan-3-amine
CID 83196626
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 115561892
2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63403450
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 63983791

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine (CID 63403718) is 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1CCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is JPGQMWOCHJTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-12-18-16-9-8-14(7-2)13-15(16)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine?
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).