6-(N,3-dimethylanilino)hexan-1-ol

C14H23NO — CID 103737894

IUPAC6-(N,3-dimethylanilino)hexan-1-ol
SMILESCc1cccc(N(C)CCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-13-8-7-9-14(12-13)15(2)10-5-3-4-6-11-16/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyGTMIEIAXTBVMKL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds7

About 6-(N,3-dimethylanilino)hexan-1-ol

6-(N,3-dimethylanilino)hexan-1-ol (PubChem CID 103737894) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-(N,3-dimethylanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(N,3-dimethylanilino)hexan-1-ol
PubChem CID103737894
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-(N,3-dimethylanilino)hexan-1-ol
SMILESCc1cccc(N(C)CCCCCCO)c1
InChIInChI=1S/C14H23NO/c1-13-8-7-9-14(12-13)15(2)10-5-3-4-6-11-16/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyGTMIEIAXTBVMKL-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(N,3-dimethylanilino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
CID 110935979
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
CID 107203261
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-[3-[ethoxy(dimethyl)silyl]propyl]-N,3-dimethylaniline
CID 174067279
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
CID 114016676

Frequently Asked Questions

What is the IUPAC name of 6-(N,3-dimethylanilino)hexan-1-ol?
The IUPAC name of 6-(N,3-dimethylanilino)hexan-1-ol (CID 103737894) is 6-(N,3-dimethylanilino)hexan-1-ol.
What is the SMILES notation for 6-(N,3-dimethylanilino)hexan-1-ol?
The canonical SMILES for 6-(N,3-dimethylanilino)hexan-1-ol is Cc1cccc(N(C)CCCCCCO)c1.
What is the InChIKey of 6-(N,3-dimethylanilino)hexan-1-ol?
The InChIKey is GTMIEIAXTBVMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13-8-7-9-14(12-13)15(2)10-5-3-4-6-11-16/h7-9,12,16H,3-6,10-11H2,1-2H3.
What are the key properties of 6-(N,3-dimethylanilino)hexan-1-ol?
6-(N,3-dimethylanilino)hexan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,3-dimethylanilino)hexan-1-ol is sourced from PubChem (CID 103737894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).