5-(N,4-dimethylanilino)pentan-1-ol

C13H21NO — CID 62226910

IUPAC5-(N,4-dimethylanilino)pentan-1-ol
SMILESCc1ccc(N(C)CCCCCO)cc1
InChIInChI=1S/C13H21NO/c1-12-6-8-13(9-7-12)14(2)10-4-3-5-11-15/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyITMSKBHDCMYKIK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds6

About 5-(N,4-dimethylanilino)pentan-1-ol

5-(N,4-dimethylanilino)pentan-1-ol (PubChem CID 62226910) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)pentan-1-ol
PubChem CID62226910
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-(N,4-dimethylanilino)pentan-1-ol
SMILESCc1ccc(N(C)CCCCCO)cc1
InChIInChI=1S/C13H21NO/c1-12-6-8-13(9-7-12)14(2)10-4-3-5-11-15/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyITMSKBHDCMYKIK-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
4-[6-hydroxyhexyl(methyl)amino]benzenecarbothioamide
CID 107703805
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
N,4-dimethyl-N-propylaniline
CID 14671247
5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201217
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
4-(N,4-dimethylanilino)butanal
CID 145026678
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
CID 114016676

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)pentan-1-ol?
The IUPAC name of 5-(N,4-dimethylanilino)pentan-1-ol (CID 62226910) is 5-(N,4-dimethylanilino)pentan-1-ol.
What is the SMILES notation for 5-(N,4-dimethylanilino)pentan-1-ol?
The canonical SMILES for 5-(N,4-dimethylanilino)pentan-1-ol is Cc1ccc(N(C)CCCCCO)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)pentan-1-ol?
The InChIKey is ITMSKBHDCMYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12-6-8-13(9-7-12)14(2)10-4-3-5-11-15/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of 5-(N,4-dimethylanilino)pentan-1-ol?
5-(N,4-dimethylanilino)pentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)pentan-1-ol is sourced from PubChem (CID 62226910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).