3,7-dimethyl-N-phenylocta-2,6-dien-1-imine

C16H21N — CID 3085814

IUPAC3,7-dimethyl-N-phenylocta-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/c1ccccc1
InChIInChI=1S/C16H21N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-13H,7,9H2,1-3H3/b15-12?,17-13+
InChIKeyIBACNGYLSFSPQM-ONENNTDASA-N
MW227.35 g/mol
LogP5.08
Rot. Bonds5

About 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine

3,7-dimethyl-N-phenylocta-2,6-dien-1-imine (PubChem CID 3085814) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-N-phenylocta-2,6-dien-1-imine
PubChem CID3085814
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3,7-dimethyl-N-phenylocta-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/c1ccccc1
InChIInChI=1S/C16H21N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-13H,7,9H2,1-3H3/b15-12?,17-13+
InChIKeyIBACNGYLSFSPQM-ONENNTDASA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 5375816
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CID 10220983
N-Heptylidenebenzenamine
CID 107536
N,N'-Propanediylidenedianiline
CID 111090
Benzenamine, N-butylidene-
CID 94851
Benzenamine, N-(2-methyl-1-propenylidene)-
CID 637803
N-(3,7-Dimethyl-6-octen-1-ylidene)benzenamine
CID 3016386
N-{4-[(propan-2-yl)imino]cyclohexa-2,5-dien-1-ylidene}aniline
CID 4552784
(2E)-N-Phenyloctan-2-imine
CID 12678979
N-Ethylidenebenzenamine
CID 95796
Benzenamine, N,N'-2-pentene-1,5-diylidenebis-, hydrochloride
CID 111191

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine?
The IUPAC name of 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine (CID 3085814) is 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine.
What is the SMILES notation for 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine?
The canonical SMILES for 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine is CC(C)=CCCC(C)=C/C=N/c1ccccc1.
What is the InChIKey of 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine?
The InChIKey is IBACNGYLSFSPQM-ONENNTDASA-N. The full InChI is InChI=1S/C16H21N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-13H,7,9H2,1-3H3/b15-12?,17-13+.
What are the key properties of 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine?
3,7-dimethyl-N-phenylocta-2,6-dien-1-imine has a molecular weight of 227.35 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-phenylocta-2,6-dien-1-imine is sourced from PubChem (CID 3085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).