N-methylnona-2,4-dien-1-imine

C10H17N — CID 123458201

IUPACN-methylnona-2,4-dien-1-imine
SMILESCCCCC=CC=C/C=N/C
InChIInChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h6-10H,3-5H2,1-2H3/b7-6?,9-8?,11-10+
InChIKeyOEJNHLDSZZHGSU-RTFWTEQFSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds5

About N-methylnona-2,4-dien-1-imine

N-methylnona-2,4-dien-1-imine (PubChem CID 123458201) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-methylnona-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methylnona-2,4-dien-1-imine
PubChem CID123458201
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-methylnona-2,4-dien-1-imine
SMILESCCCCC=CC=C/C=N/C
InChIInChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h6-10H,3-5H2,1-2H3/b7-6?,9-8?,11-10+
InChIKeyOEJNHLDSZZHGSU-RTFWTEQFSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
2,3-Dihydroazecine
CID 53692214
1-Azacyclododeca-4,8,12-triene
CID 53824618
N-methylhepta-2,4-dien-1-imine
CID 53832217
N-octa-1,3-dienyloct-3-en-1-imine
CID 57155630
N-propylhex-2-en-1-imine
CID 57162826
N-propylpent-2-en-1-imine
CID 57277336
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482

Frequently Asked Questions

What is the IUPAC name of N-methylnona-2,4-dien-1-imine?
The IUPAC name of N-methylnona-2,4-dien-1-imine (CID 123458201) is N-methylnona-2,4-dien-1-imine.
What is the SMILES notation for N-methylnona-2,4-dien-1-imine?
The canonical SMILES for N-methylnona-2,4-dien-1-imine is CCCCC=CC=C/C=N/C.
What is the InChIKey of N-methylnona-2,4-dien-1-imine?
The InChIKey is OEJNHLDSZZHGSU-RTFWTEQFSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h6-10H,3-5H2,1-2H3/b7-6?,9-8?,11-10+.
What are the key properties of N-methylnona-2,4-dien-1-imine?
N-methylnona-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylnona-2,4-dien-1-imine is sourced from PubChem (CID 123458201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).