2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol

C11H25NO — CID 106328180

IUPAC2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
SMILESCCC(C)(CC)NCC(C)(C)CO
InChIInChI=1S/C11H25NO/c1-6-11(5,7-2)12-8-10(3,4)9-13/h12-13H,6-9H2,1-5H3
InChIKeyBGFRQRQGAANZCR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds6

About 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol

2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol (PubChem CID 106328180) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
PubChem CID106328180
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
SMILESCCC(C)(CC)NCC(C)(C)CO
InChIInChI=1S/C11H25NO/c1-6-11(5,7-2)12-8-10(3,4)9-13/h12-13H,6-9H2,1-5H3
InChIKeyBGFRQRQGAANZCR-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-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

2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728
2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 114493468
3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 79624482
2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
CID 81411464
2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
CID 165465852
methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
CID 81412028
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
2-(2,2-dimethylpentylamino)-2-methylpropan-1-ol
CID 115133723
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
CID 87364467
CID 87364467
3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
CID 115359046

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol (CID 106328180) is 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol is CCC(C)(CC)NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol?
The InChIKey is BGFRQRQGAANZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(5,7-2)12-8-10(3,4)9-13/h12-13H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol?
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol is sourced from PubChem (CID 106328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).