3-amino-3-methylbutan-1-ol

C5H13NO — CID 641000

IUPAC3-amino-3-methylbutan-1-ol
SMILESCC(C)(N)CCO
InChIInChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3
InChIKeyPHRHXTTZZWUGNN-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.11
Rot. Bonds2

About 3-amino-3-methylbutan-1-ol

3-amino-3-methylbutan-1-ol (PubChem CID 641000) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 3-amino-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-amino-3-methylbutan-1-ol
PubChem CID641000
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name3-amino-3-methylbutan-1-ol
SMILESCC(C)(N)CCO
InChIInChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3
InChIKeyPHRHXTTZZWUGNN-UHFFFAOYSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-methylhexan-1-ol;hydrochloride
CID 172915971
3,4-diamino-3-(2-hydroxyethyl)-4-methylhexane-1,6-diol
CID 54177072
3,4-diamino-3-methylbutan-1-ol
CID 150597042
3,3-diamino-5,5-dimethylhexan-1-ol
CID 140837864
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
1-aminopropane-1,1,3-triol
CID 54460463
3,3-dimethylbutan-1-ol;ethane
CID 155708762
3-amino-3-cyclopropylbutan-1-ol
CID 65240189
2-amino-2-methylpropan-1-ol;piperazine
CID 22757519
3-amino-3-chloropentane-1,5-diol
CID 88510587
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutan-1-ol?
The IUPAC name of 3-amino-3-methylbutan-1-ol (CID 641000) is 3-amino-3-methylbutan-1-ol.
What is the SMILES notation for 3-amino-3-methylbutan-1-ol?
The canonical SMILES for 3-amino-3-methylbutan-1-ol is CC(C)(N)CCO.
What is the InChIKey of 3-amino-3-methylbutan-1-ol?
The InChIKey is PHRHXTTZZWUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3.
What are the key properties of 3-amino-3-methylbutan-1-ol?
3-amino-3-methylbutan-1-ol has a molecular weight of 103.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutan-1-ol is sourced from PubChem (CID 641000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).