4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine

C15H27N3 — CID 143682775

IUPAC4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
SMILESC=C(C(=C/C)/N=C/C)N(CC)C1CCC(N)CC1
InChIInChI=1S/C15H27N3/c1-5-15(17-6-2)12(4)18(7-3)14-10-8-13(16)9-11-14/h5-6,13-14H,4,7-11,16H2,1-3H3/b15-5-,17-6+
InChIKeyVPEOGMFYMMHVDS-KSDLVNQGSA-N
MW249.40 g/mol
LogP3.09
Rot. Bonds5

About 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine (PubChem CID 143682775) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
PubChem CID143682775
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
SMILESC=C(C(=C/C)/N=C/C)N(CC)C1CCC(N)CC1
InChIInChI=1S/C15H27N3/c1-5-15(17-6-2)12(4)18(7-3)14-10-8-13(16)9-11-14/h5-6,13-14H,4,7-11,16H2,1-3H3/b15-5-,17-6+
InChIKeyVPEOGMFYMMHVDS-KSDLVNQGSA-N
XLogP3.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylideneamino)prop-2-enyl]cyclohexanamine
CID 118426098
1-N-ethyl-4-N-[(2Z)-2-(ethylideneamino)penta-2,4-dienyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 137505032
4-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
CID 143683238

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine (CID 143682775) is 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine is C=C(C(=C/C)/N=C/C)N(CC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine?
The InChIKey is VPEOGMFYMMHVDS-KSDLVNQGSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(17-6-2)12(4)18(7-3)14-10-8-13(16)9-11-14/h5-6,13-14H,4,7-11,16H2,1-3H3/b15-5-,17-6+.
What are the key properties of 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 143682775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).