4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol

C16H28N2O — CID 64790737

IUPAC4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(C)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-5-11-17-16(3,13-19)10-12-18(4)15-9-7-6-8-14(15)2/h6-9,17,19H,5,10-13H2,1-4H3
InChIKeyYXCWMDXPYCMITD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.57
Rot. Bonds8

About 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol

4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64790737) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64790737
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(C)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-5-11-17-16(3,13-19)10-12-18(4)15-9-7-6-8-14(15)2/h6-9,17,19H,5,10-13H2,1-4H3
InChIKeyYXCWMDXPYCMITD-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
4-(N,2-dimethylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64791132
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
CID 64789346
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
N,2-dimethyl-N-propylaniline
CID 69435269
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716

Frequently Asked Questions

What is the IUPAC name of 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol (CID 64790737) is 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN(C)c1ccccc1C.
What is the InChIKey of 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is YXCWMDXPYCMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-11-17-16(3,13-19)10-12-18(4)15-9-7-6-8-14(15)2/h6-9,17,19H,5,10-13H2,1-4H3.
What are the key properties of 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol?
4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64790737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).