4-[(E)-hept-1-enyl]-N,N-dimethylaniline

C15H23N — CID 101050911

IUPAC4-[(E)-hept-1-enyl]-N,N-dimethylaniline
SMILESCCCCC/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h8-13H,4-7H2,1-3H3/b9-8+
InChIKeyMOONOUKRFRFAGB-CMDGGOBGSA-N
MW217.36 g/mol
LogP4.35
Rot. Bonds6

About 4-[(E)-hept-1-enyl]-N,N-dimethylaniline

4-[(E)-hept-1-enyl]-N,N-dimethylaniline (PubChem CID 101050911) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-[(E)-hept-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-hept-1-enyl]-N,N-dimethylaniline
PubChem CID101050911
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-[(E)-hept-1-enyl]-N,N-dimethylaniline
SMILESCCCCC/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h8-13H,4-7H2,1-3H3/b9-8+
InChIKeyMOONOUKRFRFAGB-CMDGGOBGSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(9-iodonon-1-enyl)-N,N-dimethylaniline
CID 139765712
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
[(E)-octadec-1-enyl]benzene
CID 22722345
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
1-decyl-4-hept-1-enylbenzene
CID 173045869
N,N-dimethyl-4-[2-(1-pentylpyridin-1-ium-4-yl)ethenyl]aniline
CID 76565847
4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 4166459
N,N-dimethyl-4-[(E)-2-(1-tetracosylpyridin-1-ium-4-yl)ethenyl]aniline
CID 177488015
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide
CID 102401173

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-hept-1-enyl]-N,N-dimethylaniline (CID 101050911) is 4-[(E)-hept-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-hept-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-hept-1-enyl]-N,N-dimethylaniline is CCCCC/C=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-hept-1-enyl]-N,N-dimethylaniline?
The InChIKey is MOONOUKRFRFAGB-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h8-13H,4-7H2,1-3H3/b9-8+.
What are the key properties of 4-[(E)-hept-1-enyl]-N,N-dimethylaniline?
4-[(E)-hept-1-enyl]-N,N-dimethylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 101050911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).