5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol

C15H26N2O — CID 64791309

IUPAC5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCN(C)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O/c1-13-6-8-14(9-7-13)17(4)11-5-10-15(2,12-18)16-3/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeySFGMWHDQKXBLKQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.18
Rot. Bonds7

About 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol

5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64791309) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64791309
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCN(C)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O/c1-13-6-8-14(9-7-13)17(4)11-5-10-15(2,12-18)16-3/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeySFGMWHDQKXBLKQ-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
CID 64789319
4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789532
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790140
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
CID 65258136
2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
CID 64795852
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol (CID 64791309) is 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCN(C)c1ccc(C)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is SFGMWHDQKXBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-6-8-14(9-7-13)17(4)11-5-10-15(2,12-18)16-3/h6-9,16,18H,5,10-12H2,1-4H3.
What are the key properties of 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol?
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).