N-pent-3-enylpropan-1-imine

C8H15N — CID 123177583

IUPACN-pent-3-enylpropan-1-imine
SMILESCC=CCC/N=C/CC
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3,5,7H,4,6,8H2,1-2H3/b5-3?,9-7+
InChIKeyBBLGVKPURZODOW-UCFJBRMLSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-pent-3-enylpropan-1-imine

N-pent-3-enylpropan-1-imine (PubChem CID 123177583) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-pent-3-enylpropan-1-imine.

Molecular Properties

Compound NameN-pent-3-enylpropan-1-imine
PubChem CID123177583
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-pent-3-enylpropan-1-imine
SMILESCC=CCC/N=C/CC
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3,5,7H,4,6,8H2,1-2H3/b5-3?,9-7+
InChIKeyBBLGVKPURZODOW-UCFJBRMLSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydropyridine
CID 15738596
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2-methyl-2-pentenal N-allylimine
CID 129747538
N-[(2E)-2-fluorohexa-2,5-dien-3-yl]propan-1-imine
CID 142913329
2-Deuterio-2,5-dihydropyridine
CID 11819041
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
N-but-3-enylethanimine
CID 15812118
N-methylbut-3-en-1-imine
CID 18423567
(E)-N,N'-dipentylpent-2-ene-1,5-diimine
CID 19025926
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
N-ethylpent-2-en-1-imine
CID 53685601

Frequently Asked Questions

What is the IUPAC name of N-pent-3-enylpropan-1-imine?
The IUPAC name of N-pent-3-enylpropan-1-imine (CID 123177583) is N-pent-3-enylpropan-1-imine.
What is the SMILES notation for N-pent-3-enylpropan-1-imine?
The canonical SMILES for N-pent-3-enylpropan-1-imine is CC=CCC/N=C/CC.
What is the InChIKey of N-pent-3-enylpropan-1-imine?
The InChIKey is BBLGVKPURZODOW-UCFJBRMLSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3,5,7H,4,6,8H2,1-2H3/b5-3?,9-7+.
What are the key properties of N-pent-3-enylpropan-1-imine?
N-pent-3-enylpropan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-enylpropan-1-imine is sourced from PubChem (CID 123177583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).