(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane

C11H19N — CID 143747479

IUPAC(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
SMILESCCC.[H]/N=C/C=C(/C=C)C(=C)C
InChIInChI=1S/C8H11N.C3H8/c1-4-8(5-6-9)7(2)3;1-3-2/h4-6,9H,1-2H2,3H3;3H2,1-2H3/b8-5-,9-6+;
InChIKeyJBCFRLCOLUEWEG-BJHRKZFFSA-N
MW165.28 g/mol
LogP3.74
Rot. Bonds3

About (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane

(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane (PubChem CID 143747479) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane.

Molecular Properties

Compound Name(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
PubChem CID143747479
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
SMILESCCC.[H]/N=C/C=C(/C=C)C(=C)C
InChIInChI=1S/C8H11N.C3H8/c1-4-8(5-6-9)7(2)3;1-3-2/h4-6,9H,1-2H2,3H3;3H2,1-2H3/b8-5-,9-6+;
InChIKeyJBCFRLCOLUEWEG-BJHRKZFFSA-N
XLogP3.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
CID 143467837
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(3E)-5-iminopenta-1,3-dien-3-amine
CID 143613476
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
(2E,4E)-5-ethenyl-2,6-dimethylhepta-2,4,6-trienoic acid
CID 144874397
(2E,6E)-3-methylocta-2,6-dien-1-imine;prop-1-ene
CID 163243762
3-butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408
3-(4-ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
(E)-4-N-[1-(3,4-dihydro-2H-azepin-5-yl)ethenyl]-3-ethenylpent-2-ene-1,4-diimine
CID 145333985
5-ethenyl-6-methylnona-4,6-dien-1-imine
CID 123911994

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane?
The IUPAC name of (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane (CID 143747479) is (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane.
What is the SMILES notation for (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane?
The canonical SMILES for (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane is CCC.[H]/N=C/C=C(/C=C)C(=C)C.
What is the InChIKey of (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane?
The InChIKey is JBCFRLCOLUEWEG-BJHRKZFFSA-N. The full InChI is InChI=1S/C8H11N.C3H8/c1-4-8(5-6-9)7(2)3;1-3-2/h4-6,9H,1-2H2,3H3;3H2,1-2H3/b8-5-,9-6+;.
What are the key properties of (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane?
(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane has a molecular weight of 165.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane is sourced from PubChem (CID 143747479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).