4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine

C17H32N2 — CID 155215817

IUPAC4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C17H32N2/c1-7-14(4)17(8-2)19(9-3)16-12-10-15(11-13-16)18(5)6/h8,15-16H,2,7,9-13H2,1,3-6H3/b17-14+
InChIKeyPJOPCDUWWOAIHN-SAPNQHFASA-N
MW264.46 g/mol
LogP4.05
Rot. Bonds6

About 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine

4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine (PubChem CID 155215817) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
PubChem CID155215817
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C17H32N2/c1-7-14(4)17(8-2)19(9-3)16-12-10-15(11-13-16)18(5)6/h8,15-16H,2,7,9-13H2,1,3-6H3/b17-14+
InChIKeyPJOPCDUWWOAIHN-SAPNQHFASA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine (CID 155215817) is 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine is C=C/C(=C(/C)CC)N(CC)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine?
The InChIKey is PJOPCDUWWOAIHN-SAPNQHFASA-N. The full InChI is InChI=1S/C17H32N2/c1-7-14(4)17(8-2)19(9-3)16-12-10-15(11-13-16)18(5)6/h8,15-16H,2,7,9-13H2,1,3-6H3/b17-14+.
What are the key properties of 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine?
4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine has a molecular weight of 264.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 155215817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).