N-butyl-3,7-dimethylocta-2,6-dien-1-imine

C14H25N — CID 72660173

IUPACN-butyl-3,7-dimethylocta-2,6-dien-1-imine
SMILESCCCC/N=C/C=C(C)CCC=C(C)C
InChIInChI=1S/C14H25N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10,12H,5-7,9,11H2,1-4H3/b14-10?,15-12+
InChIKeyFVPGMLLNGDPUBX-ZTYJJYJNSA-N
MW207.36 g/mol
LogP4.55
Rot. Bonds7

About N-butyl-3,7-dimethylocta-2,6-dien-1-imine

N-butyl-3,7-dimethylocta-2,6-dien-1-imine (PubChem CID 72660173) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-butyl-3,7-dimethylocta-2,6-dien-1-imine.

Molecular Properties

Compound NameN-butyl-3,7-dimethylocta-2,6-dien-1-imine
PubChem CID72660173
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-butyl-3,7-dimethylocta-2,6-dien-1-imine
SMILESCCCC/N=C/C=C(C)CCC=C(C)C
InChIInChI=1S/C14H25N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10,12H,5-7,9,11H2,1-4H3/b14-10?,15-12+
InChIKeyFVPGMLLNGDPUBX-ZTYJJYJNSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.55
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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
2-fluoro-5-methyl-3,4-dihydro-2H-azepine
CID 123433072
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
CID 167199959
(E)-N-[(Z)-1-fluoropent-1-enyl]-3-methylhex-2-en-1-imine
CID 173678455
(2E)-1-diazo-3,7-dimethylocta-2,6-diene
CID 44225179
N-tert-butyl-2-cyclohexylideneethanimine
CID 85777573
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,7-dimethylocta-2,6-dien-1-imine?
The IUPAC name of N-butyl-3,7-dimethylocta-2,6-dien-1-imine (CID 72660173) is N-butyl-3,7-dimethylocta-2,6-dien-1-imine.
What is the SMILES notation for N-butyl-3,7-dimethylocta-2,6-dien-1-imine?
The canonical SMILES for N-butyl-3,7-dimethylocta-2,6-dien-1-imine is CCCC/N=C/C=C(C)CCC=C(C)C.
What is the InChIKey of N-butyl-3,7-dimethylocta-2,6-dien-1-imine?
The InChIKey is FVPGMLLNGDPUBX-ZTYJJYJNSA-N. The full InChI is InChI=1S/C14H25N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,10,12H,5-7,9,11H2,1-4H3/b14-10?,15-12+.
What are the key properties of N-butyl-3,7-dimethylocta-2,6-dien-1-imine?
N-butyl-3,7-dimethylocta-2,6-dien-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,7-dimethylocta-2,6-dien-1-imine is sourced from PubChem (CID 72660173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).