(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane

C9H17N — CID 142026961

IUPAC(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
SMILESC=C/C(C)=C\C=N\C.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b7-5-,8-6+;
InChIKeyJHSFTASWWMPPBL-KHCQPJBVSA-N
MW139.24 g/mol
LogP2.85
Rot. Bonds2

About (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane

(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane (PubChem CID 142026961) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane.

Molecular Properties

Compound Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
PubChem CID142026961
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane
SMILESC=C/C(C)=C\C=N\C.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b7-5-,8-6+;
InChIKeyJHSFTASWWMPPBL-KHCQPJBVSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
(2E,4E)-N-tert-butylhexa-2,4-dien-1-imine
CID 10034795
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)vinyl]penta-2,4-dienylidene]-dimethyl-ammonium
CID 5935493
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
N-methylhepta-2,4-dien-1-imine
CID 53832217
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-methylprop-2-en-1-imine;penta-1,3-diene
CID 54302890

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane?
The IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane (CID 142026961) is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane.
What is the SMILES notation for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane?
The canonical SMILES for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane is C=C/C(C)=C\C=N\C.CC.
What is the InChIKey of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane?
The InChIKey is JHSFTASWWMPPBL-KHCQPJBVSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-4-7(2)5-6-8-3;1-2/h4-6H,1H2,2-3H3;1-2H3/b7-5-,8-6+;.
What are the key properties of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane?
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane has a molecular weight of 139.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethane is sourced from PubChem (CID 142026961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).