N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine

C11H19N — CID 142163018

IUPACN-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine
SMILESC/C=C(/C=C(\C)CC)N=C(C)C
InChIInChI=1S/C11H19N/c1-6-10(5)8-11(7-2)12-9(3)4/h7-8H,6H2,1-5H3/b10-8+,11-7-
InChIKeyGIMHEUWJONZFBG-KSUSISMRSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds3

About N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine

N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine (PubChem CID 142163018) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine
PubChem CID142163018
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine
SMILESC/C=C(/C=C(\C)CC)N=C(C)C
InChIInChI=1S/C11H19N/c1-6-10(5)8-11(7-2)12-9(3)4/h7-8H,6H2,1-5H3/b10-8+,11-7-
InChIKeyGIMHEUWJONZFBG-KSUSISMRSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
CID 155402655
(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
CID 174097154
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
2-Methyl-6-methylene indole
CID 177865505
(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
CID 142147282
N-[(3Z,5Z,7E)-7-fluoro-3-methylnona-3,5,7-trien-4-yl]butan-2-imine
CID 142507841
N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
CID 143736303
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 168972427

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine?
The IUPAC name of N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine (CID 142163018) is N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine?
The canonical SMILES for N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine is C/C=C(/C=C(\C)CC)N=C(C)C.
What is the InChIKey of N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine?
The InChIKey is GIMHEUWJONZFBG-KSUSISMRSA-N. The full InChI is InChI=1S/C11H19N/c1-6-10(5)8-11(7-2)12-9(3)4/h7-8H,6H2,1-5H3/b10-8+,11-7-.
What are the key properties of N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine?
N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]propan-2-imine is sourced from PubChem (CID 142163018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).