ethane;N-prop-1-en-2-ylmethanimine

C6H13N — CID 143922364

IUPACethane;N-prop-1-en-2-ylmethanimine
SMILESC=NC(=C)C.CC
InChIInChI=1S/C4H7N.C2H6/c1-4(2)5-3;1-2/h1,3H2,2H3;1-2H3
InChIKeyVXMCJDXSLKCMLN-UHFFFAOYSA-N
MW99.18 g/mol
LogP2.25
Rot. Bonds1

About ethane;N-prop-1-en-2-ylmethanimine

ethane;N-prop-1-en-2-ylmethanimine (PubChem CID 143922364) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-ylmethanimine
PubChem CID143922364
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Nameethane;N-prop-1-en-2-ylmethanimine
SMILESC=NC(=C)C.CC
InChIInChI=1S/C4H7N.C2H6/c1-4(2)5-3;1-2/h1,3H2,2H3;1-2H3
InChIKeyVXMCJDXSLKCMLN-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 52.25
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

N-prop-1-en-2-ylmethanimidoyl fluoride
CID 123448995
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-(3-fluorobut-1-en-2-yl)methanimine
CID 144013661
N-prop-1-en-2-ylethanimine
CID 13099162
N-prop-1-en-2-ylmethanimine
CID 19734183
N-but-2-en-2-ylmethanimine
CID 20732295
N-prop-1-en-2-ylmethanimine;tungsten(2+)
CID 20770482
N-(3-methylbut-1-en-2-yl)methanimine
CID 23558843
N-but-1-en-2-ylmethanimine
CID 60089853
N-prop-1-en-2-ylmethanimidoyl iodide
CID 118401632
methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
Methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-ylmethanimine?
The IUPAC name of ethane;N-prop-1-en-2-ylmethanimine (CID 143922364) is ethane;N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for ethane;N-prop-1-en-2-ylmethanimine?
The canonical SMILES for ethane;N-prop-1-en-2-ylmethanimine is C=NC(=C)C.CC.
What is the InChIKey of ethane;N-prop-1-en-2-ylmethanimine?
The InChIKey is VXMCJDXSLKCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H6/c1-4(2)5-3;1-2/h1,3H2,2H3;1-2H3.
What are the key properties of ethane;N-prop-1-en-2-ylmethanimine?
ethane;N-prop-1-en-2-ylmethanimine has a molecular weight of 99.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143922364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).