propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine

C9H20N2 — CID 168942466

IUPACpropane;(Z)-3-propan-2-yliminoprop-1-en-1-amine
SMILESCC(C)/N=C/C=C\N.CCC
InChIInChI=1S/C6H12N2.C3H8/c1-6(2)8-5-3-4-7;1-3-2/h3-6H,7H2,1-2H3;3H2,1-2H3/b4-3-,8-5+;
InChIKeyLJQGFISAHNLHPP-NEAARWFISA-N
MW156.27 g/mol
LogP2.35
Rot. Bonds2

About propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine

propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine (PubChem CID 168942466) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Namepropane;(Z)-3-propan-2-yliminoprop-1-en-1-amine
PubChem CID168942466
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Namepropane;(Z)-3-propan-2-yliminoprop-1-en-1-amine
SMILESCC(C)/N=C/C=C\N.CCC
InChIInChI=1S/C6H12N2.C3H8/c1-6(2)8-5-3-4-7;1-3-2/h3-6H,7H2,1-2H3;3H2,1-2H3/b4-3-,8-5+;
InChIKeyLJQGFISAHNLHPP-NEAARWFISA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
3-[Di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
CID 58911998
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
3-Methyliminoprop-1-en-1-amine
CID 72522918
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
CID 88875316
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-amine
CID 88885354
N-[(Z)-2-(prop-2-enylideneamino)ethenyl]propan-2-amine
CID 88918621
(Z)-1-(prop-2-enylideneamino)prop-1-en-2-amine
CID 88963507

Frequently Asked Questions

What is the IUPAC name of propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine?
The IUPAC name of propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine (CID 168942466) is propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine.
What is the SMILES notation for propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine?
The canonical SMILES for propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine is CC(C)/N=C/C=C\N.CCC.
What is the InChIKey of propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine?
The InChIKey is LJQGFISAHNLHPP-NEAARWFISA-N. The full InChI is InChI=1S/C6H12N2.C3H8/c1-6(2)8-5-3-4-7;1-3-2/h3-6H,7H2,1-2H3;3H2,1-2H3/b4-3-,8-5+;.
What are the key properties of propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine?
propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(Z)-3-propan-2-yliminoprop-1-en-1-amine is sourced from PubChem (CID 168942466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).