(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane

C9H20N2 — CID 168926494

IUPAC(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
SMILESC=C/C(C)=C(\N)N=C.CCC.[H][H]
InChIInChI=1S/C6H10N2.C3H8.H2/c1-4-5(2)6(7)8-3;1-3-2;/h4H,1,3,7H2,2H3;3H2,1-2H3;1H/b6-5+;;
InChIKeyVXPRAZMQMVZSRN-TXOOBNKBSA-N
MW156.27 g/mol
LogP2.73
Rot. Bonds2

About (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane

(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane (PubChem CID 168926494) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound Name(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
PubChem CID168926494
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane
SMILESC=C/C(C)=C(\N)N=C.CCC.[H][H]
InChIInChI=1S/C6H10N2.C3H8.H2/c1-4-5(2)6(7)8-3;1-3-2;/h4H,1,3,7H2,2H3;3H2,1-2H3;1H/b6-5+;;
InChIKeyVXPRAZMQMVZSRN-TXOOBNKBSA-N
XLogP2.73
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 ≤ 52.73
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)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 126571350
ethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141903434
methane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142088782
ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 142915706
ethane;(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933163
ethane;(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970722
(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970723
ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
CID 143396319
N'-[(1E)-1-amino-2-methylbuta-1,3-dienyl]-N-methylidenemethanimidamide
CID 144028917
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 145001416
(1Z)-3-methylidene-1-(methylideneamino)penta-1,4-dien-1-amine
CID 168181137

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane?
The IUPAC name of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane (CID 168926494) is (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane.
What is the SMILES notation for (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane?
The canonical SMILES for (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane is C=C/C(C)=C(\N)N=C.CCC.[H][H].
What is the InChIKey of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane?
The InChIKey is VXPRAZMQMVZSRN-TXOOBNKBSA-N. The full InChI is InChI=1S/C6H10N2.C3H8.H2/c1-4-5(2)6(7)8-3;1-3-2;/h4H,1,3,7H2,2H3;3H2,1-2H3;1H/b6-5+;;.
What are the key properties of (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane?
(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane has a molecular weight of 156.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 168926494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).