(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine

C10H17N — CID 154678805

IUPAC(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C)[C@H](C)CNC
InChIInChI=1S/C10H17N/c1-5-7-10(6-2)9(3)8-11-4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+/t9-/m1/s1
InChIKeySEGFTZFYHIWOFE-YIXGCBLDSA-N
MW151.25 g/mol
LogP2.14
Rot. Bonds5

About (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine

(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine (PubChem CID 154678805) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
PubChem CID154678805
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C)[C@H](C)CNC
InChIInChI=1S/C10H17N/c1-5-7-10(6-2)9(3)8-11-4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+/t9-/m1/s1
InChIKeySEGFTZFYHIWOFE-YIXGCBLDSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-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 (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine (CID 154678805) is (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine is C=C/C=C(\C=C)[C@H](C)CNC.
What is the InChIKey of (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine?
The InChIKey is SEGFTZFYHIWOFE-YIXGCBLDSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-10(6-2)9(3)8-11-4/h5-7,9,11H,1-2,8H2,3-4H3/b10-7+/t9-/m1/s1.
What are the key properties of (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine?
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 154678805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).