(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine

C12H23N — CID 129252767

IUPAC(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
SMILESC/C=C\C(=C/C(C)(C)C)C(C)(C)N
InChIInChI=1S/C12H23N/c1-7-8-10(12(5,6)13)9-11(2,3)4/h7-9H,13H2,1-6H3/b8-7-,10-9+
InChIKeyDOLWPBOGLUWEPL-UQGDGPGGSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds2

About (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine

(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine (PubChem CID 129252767) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine.

Molecular Properties

Compound Name(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
PubChem CID129252767
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
SMILESC/C=C\C(=C/C(C)(C)C)C(C)(C)N
InChIInChI=1S/C12H23N/c1-7-8-10(12(5,6)13)9-11(2,3)4/h7-9H,13H2,1-6H3/b8-7-,10-9+
InChIKeyDOLWPBOGLUWEPL-UQGDGPGGSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-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 (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine?
The IUPAC name of (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine (CID 129252767) is (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine.
What is the SMILES notation for (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine?
The canonical SMILES for (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine is C/C=C\C(=C/C(C)(C)C)C(C)(C)N.
What is the InChIKey of (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine?
The InChIKey is DOLWPBOGLUWEPL-UQGDGPGGSA-N. The full InChI is InChI=1S/C12H23N/c1-7-8-10(12(5,6)13)9-11(2,3)4/h7-9H,13H2,1-6H3/b8-7-,10-9+.
What are the key properties of (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine?
(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine is sourced from PubChem (CID 129252767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).