(3R,4R)-6-amino-4-methylhexan-3-ol

C7H17NO — CID 96637634

IUPAC(3R,4R)-6-amino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@H](C)CCN
InChIInChI=1S/C7H17NO/c1-3-7(9)6(2)4-5-8/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyYWOQSEWVHSSCEE-RNFRBKRXSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About (3R,4R)-6-amino-4-methylhexan-3-ol

(3R,4R)-6-amino-4-methylhexan-3-ol (PubChem CID 96637634) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3R,4R)-6-amino-4-methylhexan-3-ol.

Molecular Properties

Compound Name(3R,4R)-6-amino-4-methylhexan-3-ol
PubChem CID96637634
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3R,4R)-6-amino-4-methylhexan-3-ol
SMILESCC[C@@H](O)[C@H](C)CCN
InChIInChI=1S/C7H17NO/c1-3-7(9)6(2)4-5-8/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyYWOQSEWVHSSCEE-RNFRBKRXSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methylheptan-3-ol
CID 12799251
4-methyltricosan-3-ol
CID 171485506
4,7,7-trimethyloctan-3-ol
CID 63562017
4-methyltetratriacontan-3-ol
CID 170847937
5-methylheptane-3,4-diol
CID 21486220
(4S)-1,4-diaminohexan-3-ol
CID 149307886
4,8-dimethylnon-7-en-3-ol
CID 3015366
(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
CID 174320236
4-ethyl-3-methylheptan-1-amine
CID 143231179
(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol
CID 54468843
3-ethyl-4-methylhexan-1-amine
CID 123538643
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6-amino-4-methylhexan-3-ol?
The IUPAC name of (3R,4R)-6-amino-4-methylhexan-3-ol (CID 96637634) is (3R,4R)-6-amino-4-methylhexan-3-ol.
What is the SMILES notation for (3R,4R)-6-amino-4-methylhexan-3-ol?
The canonical SMILES for (3R,4R)-6-amino-4-methylhexan-3-ol is CC[C@@H](O)[C@H](C)CCN.
What is the InChIKey of (3R,4R)-6-amino-4-methylhexan-3-ol?
The InChIKey is YWOQSEWVHSSCEE-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-7(9)6(2)4-5-8/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-6-amino-4-methylhexan-3-ol?
(3R,4R)-6-amino-4-methylhexan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6-amino-4-methylhexan-3-ol is sourced from PubChem (CID 96637634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).