(2S)-2-amino-5,5-dimethylhexan-1-ol

C8H19NO — CID 58308162

IUPAC(2S)-2-amino-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CC[C@H](N)CO
InChIInChI=1S/C8H19NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyILOBVQJDGVEABB-ZETCQYMHSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds3

About (2S)-2-amino-5,5-dimethylhexan-1-ol

(2S)-2-amino-5,5-dimethylhexan-1-ol (PubChem CID 58308162) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-2-amino-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-5,5-dimethylhexan-1-ol
PubChem CID58308162
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-2-amino-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CC[C@H](N)CO
InChIInChI=1S/C8H19NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyILOBVQJDGVEABB-ZETCQYMHSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5-dimethylhexan-1-ol?
The IUPAC name of (2S)-2-amino-5,5-dimethylhexan-1-ol (CID 58308162) is (2S)-2-amino-5,5-dimethylhexan-1-ol.
What is the SMILES notation for (2S)-2-amino-5,5-dimethylhexan-1-ol?
The canonical SMILES for (2S)-2-amino-5,5-dimethylhexan-1-ol is CC(C)(C)CC[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-5,5-dimethylhexan-1-ol?
The InChIKey is ILOBVQJDGVEABB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5,5-dimethylhexan-1-ol?
(2S)-2-amino-5,5-dimethylhexan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 58308162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).