(3R)-3-amino-5,5-dimethylhexan-1-ol

C8H19NO — CID 58554650

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

About (3R)-3-amino-5,5-dimethylhexan-1-ol

(3R)-3-amino-5,5-dimethylhexan-1-ol (PubChem CID 58554650) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3R)-3-amino-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-5,5-dimethylhexan-1-ol
PubChem CID58554650
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3R)-3-amino-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)C[C@@H](N)CCO
InChIInChI=1S/C8H19NO/c1-8(2,3)6-7(9)4-5-10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyQRTGHBWVLIUBDT-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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Related Compounds

3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
2-amino-5,7,7-trimethyloctan-1-ol
CID 170891955
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043
5,5-dimethyl-3-(methylamino)hexan-1-ol
CID 65234930
3-amino-4-methylpentane-1,4-diol
CID 58522169
4,4-dimethyl-1-methylsulfanylpentan-2-amine
CID 117241768
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974
1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 113497196
1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
CID 114396426

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5,5-dimethylhexan-1-ol?
The IUPAC name of (3R)-3-amino-5,5-dimethylhexan-1-ol (CID 58554650) is (3R)-3-amino-5,5-dimethylhexan-1-ol.
What is the SMILES notation for (3R)-3-amino-5,5-dimethylhexan-1-ol?
The canonical SMILES for (3R)-3-amino-5,5-dimethylhexan-1-ol is CC(C)(C)C[C@@H](N)CCO.
What is the InChIKey of (3R)-3-amino-5,5-dimethylhexan-1-ol?
The InChIKey is QRTGHBWVLIUBDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)6-7(9)4-5-10/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (3R)-3-amino-5,5-dimethylhexan-1-ol?
(3R)-3-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 (3R)-3-amino-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 58554650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).