2-[amino(methyl)amino]butan-2-ol

C5H14N2O — CID 142701934

IUPAC2-[amino(methyl)amino]butan-2-ol
SMILESCCC(C)(O)N(C)N
InChIInChI=1S/C5H14N2O/c1-4-5(2,8)7(3)6/h8H,4,6H2,1-3H3
InChIKeyHGULQEDVXGYPNF-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.09
Rot. Bonds2

About 2-[amino(methyl)amino]butan-2-ol

2-[amino(methyl)amino]butan-2-ol (PubChem CID 142701934) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-[amino(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-[amino(methyl)amino]butan-2-ol
PubChem CID142701934
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-[amino(methyl)amino]butan-2-ol
SMILESCCC(C)(O)N(C)N
InChIInChI=1S/C5H14N2O/c1-4-5(2,8)7(3)6/h8H,4,6H2,1-3H3
InChIKeyHGULQEDVXGYPNF-UHFFFAOYSA-N
XLogP-0.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;2-methylbutan-2-ol
CID 142079467
azane;3-methylpentan-3-ol
CID 87107560
2-aminobutan-2-ol;propane
CID 174346487
1-methyl-1-(4-methylheptan-4-yl)hydrazine
CID 151392665
6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
azane;N,N-dimethylethanamine
CID 91593223
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]butan-2-ol?
The IUPAC name of 2-[amino(methyl)amino]butan-2-ol (CID 142701934) is 2-[amino(methyl)amino]butan-2-ol.
What is the SMILES notation for 2-[amino(methyl)amino]butan-2-ol?
The canonical SMILES for 2-[amino(methyl)amino]butan-2-ol is CCC(C)(O)N(C)N.
What is the InChIKey of 2-[amino(methyl)amino]butan-2-ol?
The InChIKey is HGULQEDVXGYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-4-5(2,8)7(3)6/h8H,4,6H2,1-3H3.
What are the key properties of 2-[amino(methyl)amino]butan-2-ol?
2-[amino(methyl)amino]butan-2-ol has a molecular weight of 118.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]butan-2-ol is sourced from PubChem (CID 142701934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).