1-hydroxypropan-2-ylazanium

C3H10NO+ — CID 20558917

IUPAC1-hydroxypropan-2-ylazanium
SMILESCC([NH3+])CO
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1
InChIKeyBKMMTJMQCTUHRP-UHFFFAOYSA-O
MW76.12 g/mol
LogP-1.39
Rot. Bonds1

About 1-hydroxypropan-2-ylazanium

1-hydroxypropan-2-ylazanium (PubChem CID 20558917) has the molecular formula C3H10NO+ and a molecular weight of 76.12 g/mol. Its IUPAC name is 1-hydroxypropan-2-ylazanium.

Molecular Properties

Compound Name1-hydroxypropan-2-ylazanium
PubChem CID20558917
Molecular FormulaC3H10NO+
Molecular Weight76.12 g/mol
Exact Mass76.08
IUPAC Name1-hydroxypropan-2-ylazanium
SMILESCC([NH3+])CO
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1
InChIKeyBKMMTJMQCTUHRP-UHFFFAOYSA-O
XLogP-1.39
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Serinol
CID 68294
L-Alaninol
CID 80307
(R)-(-)-2-Amino-1-propanol
CID 80308
2-Aminopropanol
CID 5126
2-Amino-1-butanol
CID 22129
L-Valinol
CID 640993
2-Amino-1-butanol, (-)-
CID 2723856
3-Aminobutan-2-ol
CID 226831
2-Amino-1-pentanol
CID 249017
2-Amino-1-butanol, (+)-
CID 120084
3-Aminobutan-1-ol
CID 12202791
Valinol
CID 79019

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-ylazanium?
The IUPAC name of 1-hydroxypropan-2-ylazanium (CID 20558917) is 1-hydroxypropan-2-ylazanium.
What is the SMILES notation for 1-hydroxypropan-2-ylazanium?
The canonical SMILES for 1-hydroxypropan-2-ylazanium is CC([NH3+])CO.
What is the InChIKey of 1-hydroxypropan-2-ylazanium?
The InChIKey is BKMMTJMQCTUHRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1.
What are the key properties of 1-hydroxypropan-2-ylazanium?
1-hydroxypropan-2-ylazanium has a molecular weight of 76.12 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-ylazanium is sourced from PubChem (CID 20558917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).