ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine

C7H18N2 — CID 143466587

IUPACethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
SMILESC/C=C\NCNC.CC
InChIInChI=1S/C5H12N2.C2H6/c1-3-4-7-5-6-2;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3/b4-3-;
InChIKeyKYQAPBQYSPEFOF-LNKPDPKZSA-N
MW130.23 g/mol
LogP1.31
Rot. Bonds3

About ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine

ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine (PubChem CID 143466587) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine.

Molecular Properties

Compound Nameethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
PubChem CID143466587
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Nameethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
SMILESC/C=C\NCNC.CC
InChIInChI=1S/C5H12N2.C2H6/c1-3-4-7-5-6-2;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3/b4-3-;
InChIKeyKYQAPBQYSPEFOF-LNKPDPKZSA-N
XLogP1.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
N'-buta-1,3-dienyl-N-methylmethanediamine
CID 163705888
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
N-(2-chloroethyl)prop-1-en-1-amine
CID 176897576
2-(prop-1-enylamino)acetaldehyde
CID 173097369
N-(methylaminomethyl)formamide
CID 20608441
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
3-[[(Z)-prop-1-enyl]amino]propanal
CID 143480247
(Z)-but-2-ene;N-methylethanamine
CID 171622053
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
N-[(E)-prop-1-enyl]but-3-en-1-amine
CID 143057399

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine?
The IUPAC name of ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine (CID 143466587) is ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine.
What is the SMILES notation for ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine?
The canonical SMILES for ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine is C/C=C\NCNC.CC.
What is the InChIKey of ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine?
The InChIKey is KYQAPBQYSPEFOF-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H12N2.C2H6/c1-3-4-7-5-6-2;1-2/h3-4,6-7H,5H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine?
ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine has a molecular weight of 130.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine is sourced from PubChem (CID 143466587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).