(2R,5R)-5-amino-2-methylhexan-1-ol

C7H17NO — CID 167005595

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

About (2R,5R)-5-amino-2-methylhexan-1-ol

(2R,5R)-5-amino-2-methylhexan-1-ol (PubChem CID 167005595) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R,5R)-5-amino-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R,5R)-5-amino-2-methylhexan-1-ol
PubChem CID167005595
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R,5R)-5-amino-2-methylhexan-1-ol
SMILESC[C@@H](CO)CC[C@@H](C)N
InChIInChI=1S/C7H17NO/c1-6(5-9)3-4-7(2)8/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyDFFJFMBKGILHPQ-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

(5R)-hexane-2,5-diamine
CID 144618459
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469
2-methylhexane-1,5-diamine
CID 18314368
2,7-dimethyloctane-1,8-diol
CID 11008425
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
5-methylheptan-2-amine;hydrochloride
CID 127255592
butane-1,4-diol;2-methylbutane-1,4-diol
CID 158938905
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(5R)-5-aminohexan-2-ol
CID 144692574
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-amino-2-methylhexan-1-ol?
The IUPAC name of (2R,5R)-5-amino-2-methylhexan-1-ol (CID 167005595) is (2R,5R)-5-amino-2-methylhexan-1-ol.
What is the SMILES notation for (2R,5R)-5-amino-2-methylhexan-1-ol?
The canonical SMILES for (2R,5R)-5-amino-2-methylhexan-1-ol is C[C@@H](CO)CC[C@@H](C)N.
What is the InChIKey of (2R,5R)-5-amino-2-methylhexan-1-ol?
The InChIKey is DFFJFMBKGILHPQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(5-9)3-4-7(2)8/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,5R)-5-amino-2-methylhexan-1-ol?
(2R,5R)-5-amino-2-methylhexan-1-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 (2R,5R)-5-amino-2-methylhexan-1-ol is sourced from PubChem (CID 167005595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).