N-prop-1-en-2-ylethanimine

C5H9N — CID 13099162

IUPACN-prop-1-en-2-ylethanimine
SMILESC=C(C)/N=C/C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,2H2,1,3H3/b6-4+
InChIKeySYMLRCGJGOIBDX-GQCTYLIASA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-prop-1-en-2-ylethanimine

N-prop-1-en-2-ylethanimine (PubChem CID 13099162) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-prop-1-en-2-ylethanimine.

Molecular Properties

Compound NameN-prop-1-en-2-ylethanimine
PubChem CID13099162
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-prop-1-en-2-ylethanimine
SMILESC=C(C)/N=C/C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,2H2,1,3H3/b6-4+
InChIKeySYMLRCGJGOIBDX-GQCTYLIASA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144380528
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine
CID 143182236
N-(3-fluorobut-1-en-2-yl)ethanimine
CID 144013618
N-[(Z)-1-fluorobut-2-en-2-yl]propan-1-imine
CID 144360691
N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine
CID 162613420
N-prop-1-en-2-ylpropan-1-imine
CID 13099163
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
1,5-dimethyl-2H-pyrazine
CID 20164412
N-but-2-en-2-ylethanimine
CID 20749343
N-but-2-en-2-ylpropan-1-imine
CID 21054927
Ethylidene-methyl-prop-1-en-2-ylazanium
CID 22082298

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylethanimine?
The IUPAC name of N-prop-1-en-2-ylethanimine (CID 13099162) is N-prop-1-en-2-ylethanimine.
What is the SMILES notation for N-prop-1-en-2-ylethanimine?
The canonical SMILES for N-prop-1-en-2-ylethanimine is C=C(C)/N=C/C.
What is the InChIKey of N-prop-1-en-2-ylethanimine?
The InChIKey is SYMLRCGJGOIBDX-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N/c1-4-6-5(2)3/h4H,2H2,1,3H3/b6-4+.
What are the key properties of N-prop-1-en-2-ylethanimine?
N-prop-1-en-2-ylethanimine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylethanimine is sourced from PubChem (CID 13099162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).