4-methyl-N-pentylhepta-1,6-dien-3-imine

C13H23N — CID 123951338

IUPAC4-methyl-N-pentylhepta-1,6-dien-3-imine
SMILESC=CCC(C)/C(C=C)=N/CCCCC
InChIInChI=1S/C13H23N/c1-5-8-9-11-14-13(7-3)12(4)10-6-2/h6-7,12H,2-3,5,8-11H2,1,4H3/b14-13+
InChIKeyXLDJMGIAQNPDOY-BUHFOSPRSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds8

About 4-methyl-N-pentylhepta-1,6-dien-3-imine

4-methyl-N-pentylhepta-1,6-dien-3-imine (PubChem CID 123951338) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-methyl-N-pentylhepta-1,6-dien-3-imine.

Molecular Properties

Compound Name4-methyl-N-pentylhepta-1,6-dien-3-imine
PubChem CID123951338
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-methyl-N-pentylhepta-1,6-dien-3-imine
SMILESC=CCC(C)/C(C=C)=N/CCCCC
InChIInChI=1S/C13H23N/c1-5-8-9-11-14-13(7-3)12(4)10-6-2/h6-7,12H,2-3,5,8-11H2,1,4H3/b14-13+
InChIKeyXLDJMGIAQNPDOY-BUHFOSPRSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
CID 89227476
7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
CID 91167971
4-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 91437753
N-pentyl-2-prop-2-enylcyclohexan-1-imine
CID 121391547
N,4-dimethylhex-1-en-3-imine
CID 123150138
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-butyl-5-methylcyclohex-2-en-1-imine
CID 123167409
6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
CID 123294073
N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
CID 123399431
5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
CID 123403001
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentylhepta-1,6-dien-3-imine?
The IUPAC name of 4-methyl-N-pentylhepta-1,6-dien-3-imine (CID 123951338) is 4-methyl-N-pentylhepta-1,6-dien-3-imine.
What is the SMILES notation for 4-methyl-N-pentylhepta-1,6-dien-3-imine?
The canonical SMILES for 4-methyl-N-pentylhepta-1,6-dien-3-imine is C=CCC(C)/C(C=C)=N/CCCCC.
What is the InChIKey of 4-methyl-N-pentylhepta-1,6-dien-3-imine?
The InChIKey is XLDJMGIAQNPDOY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N/c1-5-8-9-11-14-13(7-3)12(4)10-6-2/h6-7,12H,2-3,5,8-11H2,1,4H3/b14-13+.
What are the key properties of 4-methyl-N-pentylhepta-1,6-dien-3-imine?
4-methyl-N-pentylhepta-1,6-dien-3-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentylhepta-1,6-dien-3-imine is sourced from PubChem (CID 123951338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).