(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine

C12H19N — CID 123322065

IUPAC(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
SMILES[H]/N=C(\C)C/C(C)=C/CC(C)=CC=C
InChIInChI=1S/C12H19N/c1-5-6-10(2)7-8-11(3)9-12(4)13/h5-6,8,13H,1,7,9H2,2-4H3/b10-6?,11-8+,13-12+
InChIKeyLNRCFFAFSNFLNZ-RRRABYQXSA-N
MW177.29 g/mol
LogP3.88
Rot. Bonds5

About (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine

(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine (PubChem CID 123322065) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine.

Molecular Properties

Compound Name(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
PubChem CID123322065
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
SMILES[H]/N=C(\C)C/C(C)=C/CC(C)=CC=C
InChIInChI=1S/C12H19N/c1-5-6-10(2)7-8-11(3)9-12(4)13/h5-6,8,13H,1,7,9H2,2-4H3/b10-6?,11-8+,13-12+
InChIKeyLNRCFFAFSNFLNZ-RRRABYQXSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,6-dimethylocta-1,3,6-triene
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ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
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1-ethenylsulfanylpropan-2-imine
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3-methylhept-3-ene-2,6-diimine
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(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(E)-hex-4-en-2-imine
CID 15835471
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
5-methylhept-5-en-2-imine
CID 123766869
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227

Frequently Asked Questions

What is the IUPAC name of (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine?
The IUPAC name of (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine (CID 123322065) is (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine.
What is the SMILES notation for (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine?
The canonical SMILES for (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine is [H]/N=C(\C)C/C(C)=C/CC(C)=CC=C.
What is the InChIKey of (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine?
The InChIKey is LNRCFFAFSNFLNZ-RRRABYQXSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-10(2)7-8-11(3)9-12(4)13/h5-6,8,13H,1,7,9H2,2-4H3/b10-6?,11-8+,13-12+.
What are the key properties of (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine?
(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine has a molecular weight of 177.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,7-dimethyldeca-4,7,9-trien-2-imine is sourced from PubChem (CID 123322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).