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

C14H36N2 — CID 143372757

IUPACethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
SMILESC=NC.C=NC(=C)C.CC.CC.CC.CC
InChIInChI=1S/C4H7N.C2H5N.4C2H6/c1-4(2)5-3;1-3-2;4*1-2/h1,3H2,2H3;1H2,2H3;4*1-2H3
InChIKeyGUXWDIPLUFDZOU-UHFFFAOYSA-N
MW232.46 g/mol
LogP5.64
Rot. Bonds1

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

ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine (PubChem CID 143372757) has the molecular formula C14H36N2 and a molecular weight of 232.46 g/mol. Its IUPAC name is ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Nameethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
PubChem CID143372757
Molecular FormulaC14H36N2
Molecular Weight232.46 g/mol
Exact Mass232.29
IUPAC Nameethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
SMILESC=NC.C=NC(=C)C.CC.CC.CC.CC
InChIInChI=1S/C4H7N.C2H5N.4C2H6/c1-4(2)5-3;1-3-2;4*1-2/h1,3H2,2H3;1H2,2H3;4*1-2H3
InChIKeyGUXWDIPLUFDZOU-UHFFFAOYSA-N
XLogP5.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;tris(2-methylprop-1-ene)
CID 144520420
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
2-thionitrosoprop-1-ene
CID 173382355
N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine
CID 158977620
ethane;N-[(Z)-ethylideneamino]-N-methylprop-1-en-2-amine
CID 145240581
chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
CID 143344106
ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 156737282
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
N-(1-methoxyethenyl)methanimine
CID 123326065

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine?
The IUPAC name of ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine (CID 143372757) is ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine?
The canonical SMILES for ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine is C=NC.C=NC(=C)C.CC.CC.CC.CC.
What is the InChIKey of ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine?
The InChIKey is GUXWDIPLUFDZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H5N.4C2H6/c1-4(2)5-3;1-3-2;4*1-2/h1,3H2,2H3;1H2,2H3;4*1-2H3.
What are the key properties of ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine?
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine has a molecular weight of 232.46 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143372757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).