2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol

C7H18N2O — CID 105428978

IUPAC2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)N
InChIInChI=1S/C7H18N2O/c1-6(2)7(5-10)4-9(3)8/h6-7,10H,4-5,8H2,1-3H3
InChIKeyZZKALHNWSRWZNR-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.06
Rot. Bonds4

About 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol

2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol (PubChem CID 105428978) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol
PubChem CID105428978
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)N
InChIInChI=1S/C7H18N2O/c1-6(2)7(5-10)4-9(3)8/h6-7,10H,4-5,8H2,1-3H3
InChIKeyZZKALHNWSRWZNR-UHFFFAOYSA-N
XLogP0.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.06
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

3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
CID 115252113
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol
CID 102538635
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
CID 105435035
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
2-propan-2-ylpentane-1,4-diol
CID 22619698
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
CID 115251995
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
CID 115251960
(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol (CID 105428978) is 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN(C)N.
What is the InChIKey of 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol?
The InChIKey is ZZKALHNWSRWZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(2)7(5-10)4-9(3)8/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol?
2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 105428978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).