1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine

C18H35N — CID 105004175

IUPAC1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(CCCC)CC1
InChIInChI=1S/C18H35N/c1-5-7-8-16-9-11-17(12-10-16)18(14-15(3)4)19-13-6-2/h16-19H,3,5-14H2,1-2,4H3
InChIKeyDLHCULLCHNMINS-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.32
Rot. Bonds9

About 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine

1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 105004175) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID105004175
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(CCCC)CC1
InChIInChI=1S/C18H35N/c1-5-7-8-16-9-11-17(12-10-16)18(14-15(3)4)19-13-6-2/h16-19H,3,5-14H2,1-2,4H3
InChIKeyDLHCULLCHNMINS-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
CID 44570775
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-amine
CID 85614646
(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine
CID 101243485
(1s,2s,4r)-1-Methyl-4-(1-methylethenyl)-2-(methylamino)cyclohexane
CID 129868850
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
CID 134951790
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 135079228
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153285
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105162995
N-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163027

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine (CID 105004175) is 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is DLHCULLCHNMINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-7-8-16-9-11-17(12-10-16)18(14-15(3)4)19-13-6-2/h16-19H,3,5-14H2,1-2,4H3.
What are the key properties of 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine?
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105004175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).