(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine

C13H21N — CID 155001940

IUPAC(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
SMILESC=CNC(=C)/C=C(\C=C/C)CCCC
InChIInChI=1S/C13H21N/c1-5-8-10-13(9-6-2)11-12(4)14-7-3/h6-7,9,11,14H,3-5,8,10H2,1-2H3/b9-6-,13-11+
InChIKeyPMMHWILGJIDZPV-BWPOMFIKSA-N
MW191.32 g/mol
LogP3.93
Rot. Bonds7

About (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine

(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine (PubChem CID 155001940) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
PubChem CID155001940
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
SMILESC=CNC(=C)/C=C(\C=C/C)CCCC
InChIInChI=1S/C13H21N/c1-5-8-10-13(9-6-2)11-12(4)14-7-3/h6-7,9,11,14H,3-5,8,10H2,1-2H3/b9-6-,13-11+
InChIKeyPMMHWILGJIDZPV-BWPOMFIKSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine (CID 155001940) is (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine is C=CNC(=C)/C=C(\C=C/C)CCCC.
What is the InChIKey of (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine?
The InChIKey is PMMHWILGJIDZPV-BWPOMFIKSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-10-13(9-6-2)11-12(4)14-7-3/h6-7,9,11,14H,3-5,8,10H2,1-2H3/b9-6-,13-11+.
What are the key properties of (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine?
(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine is sourced from PubChem (CID 155001940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).