(2S,5S)-5-amino-4,4-dimethylhexan-2-ol

C8H19NO — CID 97033653

IUPAC(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
SMILESC[C@H](O)CC(C)(C)[C@H](C)N
InChIInChI=1S/C8H19NO/c1-6(10)5-8(3,4)7(2)9/h6-7,10H,5,9H2,1-4H3/t6-,7-/m0/s1
InChIKeyMYCFWAVRDQBOEH-BQBZGAKWSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds3

About (2S,5S)-5-amino-4,4-dimethylhexan-2-ol

(2S,5S)-5-amino-4,4-dimethylhexan-2-ol (PubChem CID 97033653) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S,5S)-5-amino-4,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
PubChem CID97033653
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
SMILESC[C@H](O)CC(C)(C)[C@H](C)N
InChIInChI=1S/C8H19NO/c1-6(10)5-8(3,4)7(2)9/h6-7,10H,5,9H2,1-4H3/t6-,7-/m0/s1
InChIKeyMYCFWAVRDQBOEH-BQBZGAKWSA-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

Analyze (2S,5S)-5-amino-4,4-dimethylhexan-2-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

Cyclobutanol, 3-amino-2,2,4,4-tetramethyl-
CID 203376
(4S)-4-amino-2,2-dimethylpentan-1-ol
CID 165656836
(4R)-4-amino-2,2-dimethylpentan-1-ol
CID 165691045
5-Amino-6-fluoro-2,4,4-trimethylhexan-2-ol
CID 123305891
6-Amino-2,2-dimethylheptan-3-ol
CID 15889483
1-Amino-4,5,5-trimethylhexane-2,4-diol
CID 12237105
5-Amino-2,2-dimethylhexan-3-ol
CID 13510944
1,6-Diamino-4,4-dimethylhexan-2-ol
CID 18683532
5-Amino-2,2,6,6-tetramethylheptan-3-ol
CID 18738413
3-(1-Amino-3,3-dimethylbutyl)cyclobutan-1-ol
CID 19354190
3-(Aminomethyl)-3,5,5-trimethylhexan-1-ol
CID 19608967
5-Amino-4-ethylhexan-3-ol
CID 19890517

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-amino-4,4-dimethylhexan-2-ol?
The IUPAC name of (2S,5S)-5-amino-4,4-dimethylhexan-2-ol (CID 97033653) is (2S,5S)-5-amino-4,4-dimethylhexan-2-ol.
What is the SMILES notation for (2S,5S)-5-amino-4,4-dimethylhexan-2-ol?
The canonical SMILES for (2S,5S)-5-amino-4,4-dimethylhexan-2-ol is C[C@H](O)CC(C)(C)[C@H](C)N.
What is the InChIKey of (2S,5S)-5-amino-4,4-dimethylhexan-2-ol?
The InChIKey is MYCFWAVRDQBOEH-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(10)5-8(3,4)7(2)9/h6-7,10H,5,9H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (2S,5S)-5-amino-4,4-dimethylhexan-2-ol?
(2S,5S)-5-amino-4,4-dimethylhexan-2-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,5S)-5-amino-4,4-dimethylhexan-2-ol is sourced from PubChem (CID 97033653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).