5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine

C15H23N — CID 89258527

IUPAC5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=CCC(CC)C1C=CC=C(N(C)C)C1=C
InChIInChI=1S/C15H23N/c1-6-9-13(7-2)14-10-8-11-15(12(14)3)16(4)5/h6,8,10-11,13-14H,1,3,7,9H2,2,4-5H3
InChIKeyWJVXIHCYUPDKJZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.78
Rot. Bonds5

About 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine

5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine (PubChem CID 89258527) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine
PubChem CID89258527
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=CCC(CC)C1C=CC=C(N(C)C)C1=C
InChIInChI=1S/C15H23N/c1-6-9-13(7-2)14-10-8-11-15(12(14)3)16(4)5/h6,8,10-11,13-14H,1,3,7,9H2,2,4-5H3
InChIKeyWJVXIHCYUPDKJZ-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-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 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine (CID 89258527) is 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine is C=CCC(CC)C1C=CC=C(N(C)C)C1=C.
What is the InChIKey of 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is WJVXIHCYUPDKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-9-13(7-2)14-10-8-11-15(12(14)3)16(4)5/h6,8,10-11,13-14H,1,3,7,9H2,2,4-5H3.
What are the key properties of 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine?
5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89258527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).