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

C14H30N2O — CID 65286303

IUPAC4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-5-9-16(10-7-13)11-8-14(3,12-17)15-4/h15,17H,5-12H2,1-4H3
InChIKeyUVNIBDQVYILRAG-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds5

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

4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 65286303) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID65286303
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-5-9-16(10-7-13)11-8-14(3,12-17)15-4/h15,17H,5-12H2,1-4H3
InChIKeyUVNIBDQVYILRAG-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
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
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
2-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64791445
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64798555

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol (CID 65286303) is 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCN1CCCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is UVNIBDQVYILRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)6-5-9-16(10-7-13)11-8-14(3,12-17)15-4/h15,17H,5-12H2,1-4H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 5 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-(methylamino)butan-1-ol is sourced from PubChem (CID 65286303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).