3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol

C10H23NO — CID 115876647

IUPAC3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNCC(C)(C)CCO
InChIInChI=1S/C10H23NO/c1-9(2)7-11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyCFWRRZSLHVUXIE-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds6

About 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol

3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol (PubChem CID 115876647) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
PubChem CID115876647
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNCC(C)(C)CCO
InChIInChI=1S/C10H23NO/c1-9(2)7-11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyCFWRRZSLHVUXIE-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-4-(2-methylpropylamino)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-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
CID 106146723
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
CID 106146857
N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
CID 103836501
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol (CID 115876647) is 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol is CC(C)CNCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol?
The InChIKey is CFWRRZSLHVUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)7-11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol?
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol is sourced from PubChem (CID 115876647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).