(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine

C13H21N — CID 143918138

IUPAC(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
SMILESC/C=C\C(=C/CC)C(=CN)/C=C\CC
InChIInChI=1S/C13H21N/c1-4-7-10-13(11-14)12(8-5-2)9-6-3/h5,7-11H,4,6,14H2,1-3H3/b8-5-,10-7-,12-9+,13-11+
InChIKeyHXRAREIGMDPFKH-SZXPQPFKSA-N
MW191.32 g/mol
LogP3.71
Rot. Bonds5

About (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine

(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine (PubChem CID 143918138) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
PubChem CID143918138
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
SMILESC/C=C\C(=C/CC)C(=CN)/C=C\CC
InChIInChI=1S/C13H21N/c1-4-7-10-13(11-14)12(8-5-2)9-6-3/h5,7-11H,4,6,14H2,1-3H3/b8-5-,10-7-,12-9+,13-11+
InChIKeyHXRAREIGMDPFKH-SZXPQPFKSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-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

Related Compounds

(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
CID 144997637
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
3-ethylidenehept-4-en-2-one
CID 123873548
methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
CID 163442754
(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
CID 145473647

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine (CID 143918138) is (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine is C/C=C\C(=C/CC)C(=CN)/C=C\CC.
What is the InChIKey of (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine?
The InChIKey is HXRAREIGMDPFKH-SZXPQPFKSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-10-13(11-14)12(8-5-2)9-6-3/h5,7-11H,4,6,14H2,1-3H3/b8-5-,10-7-,12-9+,13-11+.
What are the key properties of (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine?
(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine is sourced from PubChem (CID 143918138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).