4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol

C15H26N2O — CID 64789732

IUPAC4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-4-9-16-14(12-18)8-10-17(3)15-7-5-6-13(2)11-15/h5-7,11,14,16,18H,4,8-10,12H2,1-3H3
InChIKeySUWMHHYQFUBOGE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.18
Rot. Bonds8

About 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol

4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol (PubChem CID 64789732) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
PubChem CID64789732
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-4-9-16-14(12-18)8-10-17(3)15-7-5-6-13(2)11-15/h5-7,11,14,16,18H,4,8-10,12H2,1-3H3
InChIKeySUWMHHYQFUBOGE-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 4-(N,3-dimethylanilino)-2-(propylamino)butan-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

4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
CID 138691667
CID 138691667
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336

Frequently Asked Questions

What is the IUPAC name of 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol (CID 64789732) is 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(C)c1cccc(C)c1.
What is the InChIKey of 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol?
The InChIKey is SUWMHHYQFUBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-16-14(12-18)8-10-17(3)15-7-5-6-13(2)11-15/h5-7,11,14,16,18H,4,8-10,12H2,1-3H3.
What are the key properties of 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol?
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64789732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).