N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine

C8H13N — CID 123701071

IUPACN-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
SMILESC=C(/C=C\C)/N=C/CC
InChIInChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h4,6-7H,3,5H2,1-2H3/b6-4-,9-7+
InChIKeyAOQSQHPMQGGQJC-UNQQQNFISA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine

N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine (PubChem CID 123701071) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
PubChem CID123701071
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
SMILESC=C(/C=C\C)/N=C/CC
InChIInChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h4,6-7H,3,5H2,1-2H3/b6-4-,9-7+
InChIKeyAOQSQHPMQGGQJC-UNQQQNFISA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-penta-1,3,4-trien-2-ylpropan-1-imine
CID 123516148
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
1,3-di(propylidene)guanidine
CID 174857851
2-(propylideneamino)prop-2-enenitrile
CID 90933430
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
(Z)-2-(propylideneamino)but-2-enal
CID 169111295
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
propylidenethiourea
CID 57195256
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine (CID 123701071) is N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine is C=C(/C=C\C)/N=C/CC.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine?
The InChIKey is AOQSQHPMQGGQJC-UNQQQNFISA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h4,6-7H,3,5H2,1-2H3/b6-4-,9-7+.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine?
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine is sourced from PubChem (CID 123701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).