2-amino-5-methylhexane-2,5-diol

C7H17NO2 — CID 175528069

IUPAC2-amino-5-methylhexane-2,5-diol
SMILESCC(C)(O)CCC(C)(N)O
InChIInChI=1S/C7H17NO2/c1-6(2,9)4-5-7(3,8)10/h9-10H,4-5,8H2,1-3H3
InChIKeyBTHLYGNTCXBEAD-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-5-methylhexane-2,5-diol

2-amino-5-methylhexane-2,5-diol (PubChem CID 175528069) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-amino-5-methylhexane-2,5-diol.

Molecular Properties

Compound Name2-amino-5-methylhexane-2,5-diol
PubChem CID175528069
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-amino-5-methylhexane-2,5-diol
SMILESCC(C)(O)CCC(C)(N)O
InChIInChI=1S/C7H17NO2/c1-6(2,9)4-5-7(3,8)10/h9-10H,4-5,8H2,1-3H3
InChIKeyBTHLYGNTCXBEAD-UHFFFAOYSA-N
XLogP0.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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5-methoxy-2,5-dimethylhexan-2-ol
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2,4-diamino-4-methylpentan-2-ol
CID 146969207
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
5-hydroxy-2,2,5-trimethylhexanoic acid
CID 79425449
1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
CID 11217562
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylhexane-2,5-diol?
The IUPAC name of 2-amino-5-methylhexane-2,5-diol (CID 175528069) is 2-amino-5-methylhexane-2,5-diol.
What is the SMILES notation for 2-amino-5-methylhexane-2,5-diol?
The canonical SMILES for 2-amino-5-methylhexane-2,5-diol is CC(C)(O)CCC(C)(N)O.
What is the InChIKey of 2-amino-5-methylhexane-2,5-diol?
The InChIKey is BTHLYGNTCXBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2,9)4-5-7(3,8)10/h9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-amino-5-methylhexane-2,5-diol?
2-amino-5-methylhexane-2,5-diol has a molecular weight of 147.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylhexane-2,5-diol is sourced from PubChem (CID 175528069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).