2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine

C17H25N — CID 89037624

IUPAC2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)NC1=C(C)C=C(C)CC1
InChIInChI=1S/C17H25N/c1-6-8-16(9-7-2)15(5)18-17-11-10-13(3)12-14(17)4/h6-9,12,15,18H,1,10-11H2,2-5H3/b9-7-,16-8+
InChIKeyZWJZKFCYEAFBDH-KQGIKXCNSA-N
MW243.39 g/mol
LogP4.67
Rot. Bonds5

About 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine

2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 89037624) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID89037624
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)NC1=C(C)C=C(C)CC1
InChIInChI=1S/C17H25N/c1-6-8-16(9-7-2)15(5)18-17-11-10-13(3)12-14(17)4/h6-9,12,15,18H,1,10-11H2,2-5H3/b9-7-,16-8+
InChIKeyZWJZKFCYEAFBDH-KQGIKXCNSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-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 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine (CID 89037624) is 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine is C=C/C=C(\C=C/C)C(C)NC1=C(C)C=C(C)CC1.
What is the InChIKey of 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is ZWJZKFCYEAFBDH-KQGIKXCNSA-N. The full InChI is InChI=1S/C17H25N/c1-6-8-16(9-7-2)15(5)18-17-11-10-13(3)12-14(17)4/h6-9,12,15,18H,1,10-11H2,2-5H3/b9-7-,16-8+.
What are the key properties of 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine?
2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).