3,4-diamino-3-methylbutan-1-ol

C5H14N2O — CID 150597042

IUPAC3,4-diamino-3-methylbutan-1-ol
SMILESCC(N)(CN)CCO
InChIInChI=1S/C5H14N2O/c1-5(7,4-6)2-3-8/h8H,2-4,6-7H2,1H3
InChIKeyIRBJKNWVWJJJMH-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.96
Rot. Bonds3

About 3,4-diamino-3-methylbutan-1-ol

3,4-diamino-3-methylbutan-1-ol (PubChem CID 150597042) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3,4-diamino-3-methylbutan-1-ol.

Molecular Properties

Compound Name3,4-diamino-3-methylbutan-1-ol
PubChem CID150597042
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3,4-diamino-3-methylbutan-1-ol
SMILESCC(N)(CN)CCO
InChIInChI=1S/C5H14N2O/c1-5(7,4-6)2-3-8/h8H,2-4,6-7H2,1H3
InChIKeyIRBJKNWVWJJJMH-UHFFFAOYSA-N
XLogP-0.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethyloctane-1,2,7,8-tetramine
CID 54453561
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3-amino-3-methylbutan-1-ol
CID 641000
3-amino-3-methyloctan-1-ol
CID 80558733
1-aminopropane-1,1,3-triol
CID 54460463
4,5-diamino-2,2,4-trimethylpentan-1-ol
CID 57016667
2-methyloctane-1,2-diamine
CID 43519506
3,4-diamino-3-(2-hydroxyethyl)-4-methylhexane-1,6-diol
CID 54177072
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
3,3-diamino-5,5-dimethylhexan-1-ol
CID 140837864
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-3-methylbutan-1-ol?
The IUPAC name of 3,4-diamino-3-methylbutan-1-ol (CID 150597042) is 3,4-diamino-3-methylbutan-1-ol.
What is the SMILES notation for 3,4-diamino-3-methylbutan-1-ol?
The canonical SMILES for 3,4-diamino-3-methylbutan-1-ol is CC(N)(CN)CCO.
What is the InChIKey of 3,4-diamino-3-methylbutan-1-ol?
The InChIKey is IRBJKNWVWJJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(7,4-6)2-3-8/h8H,2-4,6-7H2,1H3.
What are the key properties of 3,4-diamino-3-methylbutan-1-ol?
3,4-diamino-3-methylbutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-3-methylbutan-1-ol is sourced from PubChem (CID 150597042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).