(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine

C11H15N — CID 138555327

IUPAC(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C=C)\C(=C/C)NC=C
InChIInChI=1S/C11H15N/c1-5-9-10(6-2)11(7-3)12-8-4/h5-9,12H,1-2,4H2,3H3/b10-9-,11-7+
InChIKeyRKHGPDVQUWQVBK-IRLYEXJDSA-N
MW161.25 g/mol
LogP2.92
Rot. Bonds5

About (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine

(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine (PubChem CID 138555327) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
PubChem CID138555327
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C=C)\C(=C/C)NC=C
InChIInChI=1S/C11H15N/c1-5-9-10(6-2)11(7-3)12-8-4/h5-9,12H,1-2,4H2,3H3/b10-9-,11-7+
InChIKeyRKHGPDVQUWQVBK-IRLYEXJDSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
CID 144588079
ethane;N-ethenylprop-2-enethioamide
CID 156639581
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine (CID 138555327) is (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine is C=C/C=C(C=C)\C(=C/C)NC=C.
What is the InChIKey of (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine?
The InChIKey is RKHGPDVQUWQVBK-IRLYEXJDSA-N. The full InChI is InChI=1S/C11H15N/c1-5-9-10(6-2)11(7-3)12-8-4/h5-9,12H,1-2,4H2,3H3/b10-9-,11-7+.
What are the key properties of (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine has a molecular weight of 161.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 138555327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).