1-[4-(dimethylamino)phenyl]hex-5-en-1-ol

C14H21NO — CID 105102029

IUPAC1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-7-14(16)12-8-10-13(11-9-12)15(2)3/h4,8-11,14,16H,1,5-7H2,2-3H3
InChIKeyOYLOFHVFWICTCN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol

1-[4-(dimethylamino)phenyl]hex-5-en-1-ol (PubChem CID 105102029) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
PubChem CID105102029
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-7-14(16)12-8-10-13(11-9-12)15(2)3/h4,8-11,14,16H,1,5-7H2,2-3H3
InChIKeyOYLOFHVFWICTCN-UHFFFAOYSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-[4-(dimethylamino)phenyl]tellanylhex-5-en-2-ol
CID 15274701
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
CID 104869719
(1S)-1-[4-(1,1-difluoroethylsulfanyl)phenyl]hex-5-en-1-ol
CID 134408158
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]ethanol
CID 24975028
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
1-[4-(dimethylamino)phenyl]-2-isocyanoethanol
CID 3911406

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol (CID 105102029) is 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol is C=CCCCC(O)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol?
The InChIKey is OYLOFHVFWICTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-6-7-14(16)12-8-10-13(11-9-12)15(2)3/h4,8-11,14,16H,1,5-7H2,2-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol?
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]hex-5-en-1-ol is sourced from PubChem (CID 105102029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).