N-pent-3-en-2-ylethanimine

C7H13N — CID 90880955

IUPACN-pent-3-en-2-ylethanimine
SMILESCC=CC(C)/N=C/C
InChIInChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h4-7H,1-3H3/b6-4?,8-5+
InChIKeyBKTZIVAMWVSPPG-ZDAFHCPXSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds2

About N-pent-3-en-2-ylethanimine

N-pent-3-en-2-ylethanimine (PubChem CID 90880955) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-pent-3-en-2-ylethanimine.

Molecular Properties

Compound NameN-pent-3-en-2-ylethanimine
PubChem CID90880955
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-pent-3-en-2-ylethanimine
SMILESCC=CC(C)/N=C/C
InChIInChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h4-7H,1-3H3/b6-4?,8-5+
InChIKeyBKTZIVAMWVSPPG-ZDAFHCPXSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2-Methyl-2,3-dihydropyridine
CID 21652564
2,5-Dimethyl-2H-pyrrole
CID 21811124
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
N-propan-2-ylbut-3-en-1-imine
CID 134895506
N-cyclohexa-2,5-dien-1-ylmethanimine
CID 316234
2,3-dimethyl-2H-pyrrole
CID 14938985
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
N-ethylpent-2-en-1-imine
CID 53685601
N-but-3-en-2-ylpropan-1-imine
CID 56991820

Frequently Asked Questions

What is the IUPAC name of N-pent-3-en-2-ylethanimine?
The IUPAC name of N-pent-3-en-2-ylethanimine (CID 90880955) is N-pent-3-en-2-ylethanimine.
What is the SMILES notation for N-pent-3-en-2-ylethanimine?
The canonical SMILES for N-pent-3-en-2-ylethanimine is CC=CC(C)/N=C/C.
What is the InChIKey of N-pent-3-en-2-ylethanimine?
The InChIKey is BKTZIVAMWVSPPG-ZDAFHCPXSA-N. The full InChI is InChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h4-7H,1-3H3/b6-4?,8-5+.
What are the key properties of N-pent-3-en-2-ylethanimine?
N-pent-3-en-2-ylethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-en-2-ylethanimine is sourced from PubChem (CID 90880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).