propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine

C10H18N2 — CID 142927286

IUPACpropane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine
SMILESC=C/C=N\C(N)=C/C=C.CCC
InChIInChI=1S/C7H10N2.C3H8/c1-3-5-7(8)9-6-4-2;1-3-2/h3-6H,1-2,8H2;3H2,1-2H3/b7-5-,9-6-;
InChIKeyAOQJUQHYCRRLTA-ORYMYBSFSA-N
MW166.27 g/mol
LogP2.65
Rot. Bonds3

About propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine

propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine (PubChem CID 142927286) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine.

Molecular Properties

Compound Namepropane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine
PubChem CID142927286
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Namepropane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine
SMILESC=C/C=N\C(N)=C/C=C.CCC
InChIInChI=1S/C7H10N2.C3H8/c1-3-5-7(8)9-6-4-2;1-3-2/h3-6H,1-2,8H2;3H2,1-2H3/b7-5-,9-6-;
InChIKeyAOQJUQHYCRRLTA-ORYMYBSFSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine
CID 89224339
2-(Prop-2-enylideneamino)ethene-1,1-diamine
CID 89293829
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
N-(3-iminoprop-1-enyl)hexan-1-imine
CID 91416294
N'-ethylideneprop-2-ene-1,3-diimine
CID 91469130
N'-ethylidenepenta-2,4-diene-1,5-diimine
CID 123269534
N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine
CID 123679002
(Z)-N'-ethylideneprop-2-ene-1,3-diimine
CID 123712054
2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine
CID 134360983
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]ethene-1,2-diamine
CID 141768012
buta-1,3-diene;ethane;N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 141779294
buta-1,3-diene;ethane;N-ethenylprop-2-en-1-imine
CID 141780584

Frequently Asked Questions

What is the IUPAC name of propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine?
The IUPAC name of propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine (CID 142927286) is propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine.
What is the SMILES notation for propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine?
The canonical SMILES for propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine is C=C/C=N\C(N)=C/C=C.CCC.
What is the InChIKey of propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine?
The InChIKey is AOQJUQHYCRRLTA-ORYMYBSFSA-N. The full InChI is InChI=1S/C7H10N2.C3H8/c1-3-5-7(8)9-6-4-2;1-3-2/h3-6H,1-2,8H2;3H2,1-2H3/b7-5-,9-6-;.
What are the key properties of propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine?
propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine is sourced from PubChem (CID 142927286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).