N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine

C14H23N — CID 72660193

IUPACN-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
SMILESCCCC/N=C/C=C(C)C=CC=C(C)C
InChIInChI=1S/C14H23N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h7-10,12H,5-6,11H2,1-4H3/b9-7?,14-10?,15-12+
InChIKeyVOSKZTNWWLTLNR-FXHAVWNBSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds6

About N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine

N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine (PubChem CID 72660193) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine.

Molecular Properties

Compound NameN-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
PubChem CID72660193
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
SMILESCCCC/N=C/C=C(C)C=CC=C(C)C
InChIInChI=1S/C14H23N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h7-10,12H,5-6,11H2,1-4H3/b9-7?,14-10?,15-12+
InChIKeyVOSKZTNWWLTLNR-FXHAVWNBSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
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

3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
CID 54453652
(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene
CID 173229082
(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride
CID 16743724
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
(2Z,4E)-3-methylnona-2,4-dienal
CID 10678430
N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine
CID 166934851
2-methyloctatetraconta-2,4,6-triene
CID 165175383
N-hexyl-3-phenylbut-2-en-1-imine
CID 66742213
butyliminomethanesulfinic acid
CID 91559800
(E)-N-octylbut-2-en-1-imine
CID 167240064
(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 10015927

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine?
The IUPAC name of N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine (CID 72660193) is N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine.
What is the SMILES notation for N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine?
The canonical SMILES for N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine is CCCC/N=C/C=C(C)C=CC=C(C)C.
What is the InChIKey of N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine?
The InChIKey is VOSKZTNWWLTLNR-FXHAVWNBSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h7-10,12H,5-6,11H2,1-4H3/b9-7?,14-10?,15-12+.
What are the key properties of N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine?
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 6 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-2,4,6-trien-1-imine is sourced from PubChem (CID 72660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).