1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol

C11H24N2O — CID 131042951

IUPAC1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
SMILESCC(N)C(N1CC(C)(O)C1)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(12)9(10(2,3)4)13-6-11(5,14)7-13/h8-9,14H,6-7,12H2,1-5H3
InChIKeyVHTBUJBTGUDWES-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.81
Rot. Bonds2

About 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol

1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol (PubChem CID 131042951) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
PubChem CID131042951
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
SMILESCC(N)C(N1CC(C)(O)C1)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(12)9(10(2,3)4)13-6-11(5,14)7-13/h8-9,14H,6-7,12H2,1-5H3
InChIKeyVHTBUJBTGUDWES-UHFFFAOYSA-N
XLogP0.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63171716
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355425
1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
CID 131071118
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
CID 107219373
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
CID 130495517
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 114081796
3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine
CID 63973438
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
CID 103355450
1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
CID 59704491
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol (CID 131042951) is 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol is CC(N)C(N1CC(C)(O)C1)C(C)(C)C.
What is the InChIKey of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol?
The InChIKey is VHTBUJBTGUDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(12)9(10(2,3)4)13-6-11(5,14)7-13/h8-9,14H,6-7,12H2,1-5H3.
What are the key properties of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol?
1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 131042951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).