1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine

C18H35NO — CID 114476115

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C18H35NO/c1-7-19-16(10-9-15(3)4)18(20-8-2)13-11-17(5,6)12-14-18/h16,19H,3,7-14H2,1-2,4-6H3
InChIKeyHFGXAIHNKIORBH-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.70
Rot. Bonds8

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 114476115) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID114476115
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C18H35NO/c1-7-19-16(10-9-15(3)4)18(20-8-2)13-11-17(5,6)12-14-18/h16,19H,3,7-14H2,1-2,4-6H3
InChIKeyHFGXAIHNKIORBH-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
[1-(1-ethoxycyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105276293
[1-(4-ethoxyoxan-4-yl)-4-methylpent-4-enyl]hydrazine
CID 105276837
N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
CID 105182489
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
[3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propyl]hydrazine
CID 105277902
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 114476115) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)C1(OCC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is HFGXAIHNKIORBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-7-19-16(10-9-15(3)4)18(20-8-2)13-11-17(5,6)12-14-18/h16,19H,3,7-14H2,1-2,4-6H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114476115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).