(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol

C9H21NO — CID 130714780

IUPAC(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol
SMILESCC(C)(C)[C@@H](N)C(C)(C)CO
InChIInChI=1S/C9H21NO/c1-8(2,3)7(10)9(4,5)6-11/h7,11H,6,10H2,1-5H3/t7-/m1/s1
InChIKeyWOWCAMIPDVSYRH-SSDOTTSWSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds2

About (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol

(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol (PubChem CID 130714780) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol
PubChem CID130714780
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol
SMILESCC(C)(C)[C@@H](N)C(C)(C)CO
InChIInChI=1S/C9H21NO/c1-8(2,3)7(10)9(4,5)6-11/h7,11H,6,10H2,1-5H3/t7-/m1/s1
InChIKeyWOWCAMIPDVSYRH-SSDOTTSWSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol?
The IUPAC name of (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol (CID 130714780) is (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol is CC(C)(C)[C@@H](N)C(C)(C)CO.
What is the InChIKey of (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol?
The InChIKey is WOWCAMIPDVSYRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,3)7(10)9(4,5)6-11/h7,11H,6,10H2,1-5H3/t7-/m1/s1.
What are the key properties of (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol?
(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol is sourced from PubChem (CID 130714780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).