propan-2-amine;hydrate;hydrochloride

C3H12ClNO — CID 162153809

IUPACpropan-2-amine;hydrate;hydrochloride
SMILESCC(C)N.Cl.O
InChIInChI=1S/C3H9N.ClH.H2O/c1-3(2)4;;/h3H,4H2,1-2H3;1H;1H2
InChIKeyZLODAHKGGXALOP-UHFFFAOYSA-N
MW113.59 g/mol
LogP-0.05
Rot. Bonds

About propan-2-amine;hydrate;hydrochloride

propan-2-amine;hydrate;hydrochloride (PubChem CID 162153809) has the molecular formula C3H12ClNO and a molecular weight of 113.59 g/mol. Its IUPAC name is propan-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Namepropan-2-amine;hydrate;hydrochloride
PubChem CID162153809
Molecular FormulaC3H12ClNO
Molecular Weight113.59 g/mol
Exact Mass113.06
IUPAC Namepropan-2-amine;hydrate;hydrochloride
SMILESCC(C)N.Cl.O
InChIInChI=1S/C3H9N.ClH.H2O/c1-3(2)4;;/h3H,4H2,1-2H3;1H;1H2
InChIKeyZLODAHKGGXALOP-UHFFFAOYSA-N
XLogP-0.05
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.59
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane-1,1-diamine;tetrahydrochloride
CID 142050640
hydron;propan-2-amine
CID 174699722
beryllium;hydride;propan-2-amine
CID 174791883
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
potassium;boranuide;propan-2-amine
CID 174884130
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440
dimethylsilane;bis(propan-2-amine)
CID 162097672
1-aminoethanol;dihydrate
CID 174522772
platinum-193(4+);bis(propan-2-amine);dichloride;dihydroxide
CID 10136635
oxosilver;propan-2-amine
CID 158348273
copper;bis(ethane-1,1-diamine)
CID 118678530
alumane;ethane-1,1-diamine
CID 174593574

Frequently Asked Questions

What is the IUPAC name of propan-2-amine;hydrate;hydrochloride?
The IUPAC name of propan-2-amine;hydrate;hydrochloride (CID 162153809) is propan-2-amine;hydrate;hydrochloride.
What is the SMILES notation for propan-2-amine;hydrate;hydrochloride?
The canonical SMILES for propan-2-amine;hydrate;hydrochloride is CC(C)N.Cl.O.
What is the InChIKey of propan-2-amine;hydrate;hydrochloride?
The InChIKey is ZLODAHKGGXALOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.ClH.H2O/c1-3(2)4;;/h3H,4H2,1-2H3;1H;1H2.
What are the key properties of propan-2-amine;hydrate;hydrochloride?
propan-2-amine;hydrate;hydrochloride has a molecular weight of 113.59 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 162153809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).