4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol

C16H34N2O — CID 65286693

IUPAC4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-16(4,14-19)9-13-18-11-6-7-15(2,3)8-12-18/h17,19H,5-14H2,1-4H3
InChIKeyVYBZCAZROUHURM-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds7

About 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol

4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 65286693) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID65286693
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-16(4,14-19)9-13-18-11-6-7-15(2,3)8-12-18/h17,19H,5-14H2,1-4H3
InChIKeyVYBZCAZROUHURM-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4,4-dimethylazepan-1-yl)-2-methyl-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

5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol (CID 65286693) is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1CCCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is VYBZCAZROUHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-17-16(4,14-19)9-13-18-11-6-7-15(2,3)8-12-18/h17,19H,5-14H2,1-4H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 65286693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).