1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine

C17H32N2 — CID 123422100

IUPAC1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine
SMILESCCC1CC(C(C)NC2CCCC(N)C2)=CC(C)C1
InChIInChI=1S/C17H32N2/c1-4-14-8-12(2)9-15(10-14)13(3)19-17-7-5-6-16(18)11-17/h9,12-14,16-17,19H,4-8,10-11,18H2,1-3H3
InChIKeyMEIYXTQSPMSDNJ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.62
Rot. Bonds4

About 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 123422100) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID123422100
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine
SMILESCCC1CC(C(C)NC2CCCC(N)C2)=CC(C)C1
InChIInChI=1S/C17H32N2/c1-4-14-8-12(2)9-15(10-14)13(3)19-17-7-5-6-16(18)11-17/h9,12-14,16-17,19H,4-8,10-11,18H2,1-3H3
InChIKeyMEIYXTQSPMSDNJ-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-cyclohexyl-N-[[4-[(2-cyclohexylethylamino)methyl]cyclohex-3-en-1-yl]methyl]ethanamine
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6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine (CID 123422100) is 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine is CCC1CC(C(C)NC2CCCC(N)C2)=CC(C)C1.
What is the InChIKey of 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is MEIYXTQSPMSDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-14-8-12(2)9-15(10-14)13(3)19-17-7-5-6-16(18)11-17/h9,12-14,16-17,19H,4-8,10-11,18H2,1-3H3.
What are the key properties of 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-ethyl-3-methylcyclohexen-1-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 123422100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).