6-amino-3,3-dimethylhexan-1-ol

C8H19NO — CID 134232147

IUPAC6-amino-3,3-dimethylhexan-1-ol
SMILESCC(C)(CCO)CCCN
InChIInChI=1S/C8H19NO/c1-8(2,5-7-10)4-3-6-9/h10H,3-7,9H2,1-2H3
InChIKeyKLIHBRFWPOZGFX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 6-amino-3,3-dimethylhexan-1-ol

6-amino-3,3-dimethylhexan-1-ol (PubChem CID 134232147) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 6-amino-3,3-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-amino-3,3-dimethylhexan-1-ol
PubChem CID134232147
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name6-amino-3,3-dimethylhexan-1-ol
SMILESCC(C)(CCO)CCCN
InChIInChI=1S/C8H19NO/c1-8(2,5-7-10)4-3-6-9/h10H,3-7,9H2,1-2H3
InChIKeyKLIHBRFWPOZGFX-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3,3-dimethyloctan-1-ol
CID 18704344
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917
1,17-dihydroxy-3,3,15,15-tetramethylheptadecane-7,11-dione
CID 23431441
4,4-dimethyltridecan-1-amine
CID 172686024
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
6-[3-(6-hydroxy-4,4-dimethylhexyl)sulfinylpropylsulfinyl]-3,3-dimethylhexan-1-ol
CID 18752634
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
CID 57136754
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,3-dimethylhexan-1-ol?
The IUPAC name of 6-amino-3,3-dimethylhexan-1-ol (CID 134232147) is 6-amino-3,3-dimethylhexan-1-ol.
What is the SMILES notation for 6-amino-3,3-dimethylhexan-1-ol?
The canonical SMILES for 6-amino-3,3-dimethylhexan-1-ol is CC(C)(CCO)CCCN.
What is the InChIKey of 6-amino-3,3-dimethylhexan-1-ol?
The InChIKey is KLIHBRFWPOZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,5-7-10)4-3-6-9/h10H,3-7,9H2,1-2H3.
What are the key properties of 6-amino-3,3-dimethylhexan-1-ol?
6-amino-3,3-dimethylhexan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3-dimethylhexan-1-ol is sourced from PubChem (CID 134232147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).