(2S)-5-amino-3,3,5-trimethylhexan-2-ol

C9H21NO — CID 146667558

IUPAC(2S)-5-amino-3,3,5-trimethylhexan-2-ol
SMILESC[C@H](O)C(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21NO/c1-7(11)8(2,3)6-9(4,5)10/h7,11H,6,10H2,1-5H3/t7-/m0/s1
InChIKeyHSDQUXSOFRGQAY-ZETCQYMHSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds3

About (2S)-5-amino-3,3,5-trimethylhexan-2-ol

(2S)-5-amino-3,3,5-trimethylhexan-2-ol (PubChem CID 146667558) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-5-amino-3,3,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name(2S)-5-amino-3,3,5-trimethylhexan-2-ol
PubChem CID146667558
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-5-amino-3,3,5-trimethylhexan-2-ol
SMILESC[C@H](O)C(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21NO/c1-7(11)8(2,3)6-9(4,5)10/h7,11H,6,10H2,1-5H3/t7-/m0/s1
InChIKeyHSDQUXSOFRGQAY-ZETCQYMHSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-3,3,5-trimethylhexan-2-ol?
The IUPAC name of (2S)-5-amino-3,3,5-trimethylhexan-2-ol (CID 146667558) is (2S)-5-amino-3,3,5-trimethylhexan-2-ol.
What is the SMILES notation for (2S)-5-amino-3,3,5-trimethylhexan-2-ol?
The canonical SMILES for (2S)-5-amino-3,3,5-trimethylhexan-2-ol is C[C@H](O)C(C)(C)CC(C)(C)N.
What is the InChIKey of (2S)-5-amino-3,3,5-trimethylhexan-2-ol?
The InChIKey is HSDQUXSOFRGQAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(11)8(2,3)6-9(4,5)10/h7,11H,6,10H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-5-amino-3,3,5-trimethylhexan-2-ol?
(2S)-5-amino-3,3,5-trimethylhexan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-3,3,5-trimethylhexan-2-ol is sourced from PubChem (CID 146667558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).