4-amino-5,5-dimethylhexan-3-ol

C8H19NO — CID 164650293

IUPAC4-amino-5,5-dimethylhexan-3-ol
SMILESCCC(O)C(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-6(10)7(9)8(2,3)4/h6-7,10H,5,9H2,1-4H3
InChIKeyFECMWWXKTICOSN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds2

About 4-amino-5,5-dimethylhexan-3-ol

4-amino-5,5-dimethylhexan-3-ol (PubChem CID 164650293) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-amino-5,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name4-amino-5,5-dimethylhexan-3-ol
PubChem CID164650293
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-amino-5,5-dimethylhexan-3-ol
SMILESCCC(O)C(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-6(10)7(9)8(2,3)4/h6-7,10H,5,9H2,1-4H3
InChIKeyFECMWWXKTICOSN-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 4-amino-5,5-dimethylhexan-3-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

(3R,4S)-4-aminohexan-3-ol
CID 640991
(3S,4R)-4-tert-butylhex-5-yn-3-ol
CID 130610341
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
5,6,6-trimethylheptane-3,4-diol
CID 139972408
1,2-diaminopentane-1,3-diol
CID 57066183
3-aminohexane-2,4-diol
CID 144515569
(2S)-1,2-diaminopentan-3-ol
CID 129142351
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
CID 171270667
1-aminopropan-1-ol;hydrochloride
CID 18547293
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethylhexan-3-ol?
The IUPAC name of 4-amino-5,5-dimethylhexan-3-ol (CID 164650293) is 4-amino-5,5-dimethylhexan-3-ol.
What is the SMILES notation for 4-amino-5,5-dimethylhexan-3-ol?
The canonical SMILES for 4-amino-5,5-dimethylhexan-3-ol is CCC(O)C(N)C(C)(C)C.
What is the InChIKey of 4-amino-5,5-dimethylhexan-3-ol?
The InChIKey is FECMWWXKTICOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-6(10)7(9)8(2,3)4/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 4-amino-5,5-dimethylhexan-3-ol?
4-amino-5,5-dimethylhexan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethylhexan-3-ol is sourced from PubChem (CID 164650293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).