N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine

C11H19N — CID 145087914

IUPACN-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
SMILESCC/C=N/C=C(C)/C(C)=C/CC
InChIInChI=1S/C11H19N/c1-5-7-10(3)11(4)9-12-8-6-2/h7-9H,5-6H2,1-4H3/b10-7+,11-9+,12-8+
InChIKeyKNGBMUVQGZHVJU-YMHJLSKCSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine

N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine (PubChem CID 145087914) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
PubChem CID145087914
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
SMILESCC/C=N/C=C(C)/C(C)=C/CC
InChIInChI=1S/C11H19N/c1-5-7-10(3)11(4)9-12-8-6-2/h7-9H,5-6H2,1-4H3/b10-7+,11-9+,12-8+
InChIKeyKNGBMUVQGZHVJU-YMHJLSKCSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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

(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
CID 142002928
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
4,5-dimethyldeca-3,5-diene
CID 76540100
(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
CID 166698919
(Z)-N,N,2-trimethylpent-2-enamide
CID 23256688
(Z)-N,3-dimethyl-1-(propylideneamino)but-1-en-2-amine
CID 169142407
N-[(E)-2-fluorohex-1-enyl]propan-1-imine
CID 137400300
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
CID 90869246
N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
CID 123348699
(E)-2-methylpent-2-enethioate
CID 6365955
(E)-2-methylpent-2-enoate
CID 7006461

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine?
The IUPAC name of N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine (CID 145087914) is N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine?
The canonical SMILES for N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine is CC/C=N/C=C(C)/C(C)=C/CC.
What is the InChIKey of N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine?
The InChIKey is KNGBMUVQGZHVJU-YMHJLSKCSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-10(3)11(4)9-12-8-6-2/h7-9H,5-6H2,1-4H3/b10-7+,11-9+,12-8+.
What are the key properties of N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine?
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine is sourced from PubChem (CID 145087914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).