3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate

C6H22N2O3 — CID 174295610

IUPAC3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
SMILESCN(C)C.NCCCO.O.O
InChIInChI=1S/C3H9NO.C3H9N.2H2O/c4-2-1-3-5;1-4(2)3;;/h5H,1-4H2;1-3H3;2*1H2
InChIKeyZCOTXWSIYQQOQZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP-2.14
Rot. Bonds2

About 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate

3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate (PubChem CID 174295610) has the molecular formula C6H22N2O3 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate.

Molecular Properties

Compound Name3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
PubChem CID174295610
Molecular FormulaC6H22N2O3
Molecular Weight170.25 g/mol
Exact Mass170.16
IUPAC Name3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
SMILESCN(C)C.NCCCO.O.O
InChIInChI=1S/C3H9NO.C3H9N.2H2O/c4-2-1-3-5;1-4(2)3;;/h5H,1-4H2;1-3H3;2*1H2
InChIKeyZCOTXWSIYQQOQZ-UHFFFAOYSA-N
XLogP-2.14
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethanol;N,N-dimethylmethanamine;dihydrate
CID 174282779
3-aminopropan-1-ol;ethane
CID 91172061
2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
2-aminoethanol;N,N-dimethylmethanamine;hydrochloride
CID 174601268
sodium;3-aminopropan-1-ol;hydride
CID 173357693
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
36-aminohexatriacontan-1-ol
CID 87686190
3-aminopropan-1-ol;ethenol
CID 87392158
2-aminoethanol;butane-1,4-diol
CID 135347340
3-aminopropan-1-ol;2,2-dimethylpropanoic acid
CID 88610615
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
6-aminohexan-1-ol;hydrochloride
CID 21259387

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate?
The IUPAC name of 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate (CID 174295610) is 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate.
What is the SMILES notation for 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate?
The canonical SMILES for 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate is CN(C)C.NCCCO.O.O.
What is the InChIKey of 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate?
The InChIKey is ZCOTXWSIYQQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C3H9N.2H2O/c4-2-1-3-5;1-4(2)3;;/h5H,1-4H2;1-3H3;2*1H2.
What are the key properties of 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate?
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate has a molecular weight of 170.25 g/mol, XLogP of -2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate is sourced from PubChem (CID 174295610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).