2,2-bis(aminomethyl)butan-1-ol

C6H16N2O — CID 22274756

IUPAC2,2-bis(aminomethyl)butan-1-ol
SMILESCCC(CN)(CN)CO
InChIInChI=1S/C6H16N2O/c1-2-6(3-7,4-8)5-9/h9H,2-5,7-8H2,1H3
InChIKeyWFHVWRGPRJFUMG-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.71
Rot. Bonds4

About 2,2-bis(aminomethyl)butan-1-ol

2,2-bis(aminomethyl)butan-1-ol (PubChem CID 22274756) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)butan-1-ol.

Molecular Properties

Compound Name2,2-bis(aminomethyl)butan-1-ol
PubChem CID22274756
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2,2-bis(aminomethyl)butan-1-ol
SMILESCCC(CN)(CN)CO
InChIInChI=1S/C6H16N2O/c1-2-6(3-7,4-8)5-9/h9H,2-5,7-8H2,1H3
InChIKeyWFHVWRGPRJFUMG-UHFFFAOYSA-N
XLogP-0.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Aminomethyl)-3,3-dimethylbutan-1-ol
CID 12622589
2-(Aminomethyl)-2-ethylbutan-1-ol
CID 22379501
2-(Aminomethyl)-2-methylbutan-1-ol
CID 20461810
4-Amino-3,3-dimethylbutan-1-ol
CID 55290156
3-(Aminomethyl)-3-methylpentan-2-ol
CID 65394245
2-(Aminomethyl)-2,3-dimethylbutan-1-ol
CID 83815040
2-(Aminomethyl)-3-fluoro-2,3-dimethylbutan-1-ol
CID 165626163
2-(Aminomethyl)-4-fluoro-2-methylbutan-1-ol
CID 165880759
2-Ethyl-2-(methoxymethyl)propane-1,3-diamine
CID 14552511
1-Amino-2,2-dimethylbutan-1-ol
CID 18546555
3,4-Diamino-2,2-dimethylbutan-1-ol
CID 20163838
2-(Aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(aminomethyl)butan-1-ol?
The IUPAC name of 2,2-bis(aminomethyl)butan-1-ol (CID 22274756) is 2,2-bis(aminomethyl)butan-1-ol.
What is the SMILES notation for 2,2-bis(aminomethyl)butan-1-ol?
The canonical SMILES for 2,2-bis(aminomethyl)butan-1-ol is CCC(CN)(CN)CO.
What is the InChIKey of 2,2-bis(aminomethyl)butan-1-ol?
The InChIKey is WFHVWRGPRJFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-6(3-7,4-8)5-9/h9H,2-5,7-8H2,1H3.
What are the key properties of 2,2-bis(aminomethyl)butan-1-ol?
2,2-bis(aminomethyl)butan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)butan-1-ol is sourced from PubChem (CID 22274756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).