(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine

C16H27N — CID 130183099

IUPAC(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C(\C=C/C)C(/C)=C/CN(CC)CC
InChIInChI=1S/C16H27N/c1-7-11-16(14(5)8-2)15(6)12-13-17(9-3)10-4/h7-8,11-12H,2,9-10,13H2,1,3-6H3/b11-7-,15-12+,16-14+
InChIKeyMYHCXVZCDSWQGL-UTOQGEBTSA-N
MW233.40 g/mol
LogP4.35
Rot. Bonds7

About (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine

(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine (PubChem CID 130183099) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine
PubChem CID130183099
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C(\C=C/C)C(/C)=C/CN(CC)CC
InChIInChI=1S/C16H27N/c1-7-11-16(14(5)8-2)15(6)12-13-17(9-3)10-4/h7-8,11-12H,2,9-10,13H2,1,3-6H3/b11-7-,15-12+,16-14+
InChIKeyMYHCXVZCDSWQGL-UTOQGEBTSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine 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 (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine (CID 130183099) is (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine is C=C/C(C)=C(\C=C/C)C(/C)=C/CN(CC)CC.
What is the InChIKey of (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine?
The InChIKey is MYHCXVZCDSWQGL-UTOQGEBTSA-N. The full InChI is InChI=1S/C16H27N/c1-7-11-16(14(5)8-2)15(6)12-13-17(9-3)10-4/h7-8,11-12H,2,9-10,13H2,1,3-6H3/b11-7-,15-12+,16-14+.
What are the key properties of (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine?
(2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-diethyl-3,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 130183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).