(2R)-2-amino-2-methylhexan-1-ol

C7H17NO — CID 55277892

IUPAC(2R)-2-amino-2-methylhexan-1-ol
SMILESCCCC[C@@](C)(N)CO
InChIInChI=1S/C7H17NO/c1-3-4-5-7(2,8)6-9/h9H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyKIOCABJEBRVQNM-SSDOTTSWSA-N
MW131.22 g/mol
LogP0.89
Rot. Bonds4

About (2R)-2-amino-2-methylhexan-1-ol

(2R)-2-amino-2-methylhexan-1-ol (PubChem CID 55277892) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methylhexan-1-ol
PubChem CID55277892
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R)-2-amino-2-methylhexan-1-ol
SMILESCCCC[C@@](C)(N)CO
InChIInChI=1S/C7H17NO/c1-3-4-5-7(2,8)6-9/h9H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyKIOCABJEBRVQNM-SSDOTTSWSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methylhexadecan-1-ol
CID 87201246
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
2-amino-5-butoxy-2-methylpentan-1-ol
CID 64807302
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
3-amino-3-methyloctan-1-ol
CID 80558733
2-amino-5-butan-2-ylsulfanyl-2-methylpentan-1-ol
CID 64821293
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128
3-amino-3-methylheptanoic acid
CID 53262232
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
CID 102998428
2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
CID 102988227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-amino-2-methylhexan-1-ol (CID 55277892) is (2R)-2-amino-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methylhexan-1-ol is CCCC[C@@](C)(N)CO.
What is the InChIKey of (2R)-2-amino-2-methylhexan-1-ol?
The InChIKey is KIOCABJEBRVQNM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-5-7(2,8)6-9/h9H,3-6,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-methylhexan-1-ol?
(2R)-2-amino-2-methylhexan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylhexan-1-ol is sourced from PubChem (CID 55277892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).