4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol

C9H22N2O — CID 91618735

IUPAC4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol
SMILESCC(C)C(O)C(C(C)C)N(C)N
InChIInChI=1S/C9H22N2O/c1-6(2)8(11(5)10)9(12)7(3)4/h6-9,12H,10H2,1-5H3
InChIKeyAVVWLPJBTMQDLR-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.83
Rot. Bonds4

About 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol

4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol (PubChem CID 91618735) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol
PubChem CID91618735
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol
SMILESCC(C)C(O)C(C(C)C)N(C)N
InChIInChI=1S/C9H22N2O/c1-6(2)8(11(5)10)9(12)7(3)4/h6-9,12H,10H2,1-5H3
InChIKeyAVVWLPJBTMQDLR-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(3R)-4-methylpentane-2,3-diol
CID 59911125
niobium;tris(propan-2-ol)
CID 140526066
cobalt;tetramethylphosphanium
CID 175561525
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
1-[amino(sulfanyl)amino]ethanol
CID 174685104
1-[amino(methyl)amino]-N,N-dimethylethanamine
CID 155062112
(1S)-1-(dimethylamino)ethanol
CID 93477761
bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
CID 173170718
(1R)-1-(dimethylamino)ethanol
CID 93477762
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol
CID 102538635

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol?
The IUPAC name of 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol (CID 91618735) is 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol.
What is the SMILES notation for 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol?
The canonical SMILES for 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol is CC(C)C(O)C(C(C)C)N(C)N.
What is the InChIKey of 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol?
The InChIKey is AVVWLPJBTMQDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-6(2)8(11(5)10)9(12)7(3)4/h6-9,12H,10H2,1-5H3.
What are the key properties of 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol?
4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol has a molecular weight of 174.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol is sourced from PubChem (CID 91618735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).