1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid

C7H20N2O3 — CID 174691520

IUPAC1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
SMILESCCC(N)O.CN(C)C.O=CO
InChIInChI=1S/C3H9NO.C3H9N.CH2O2/c1-2-3(4)5;1-4(2)3;2-1-3/h3,5H,2,4H2,1H3;1-3H3;1H,(H,2,3)
InChIKeyNWMMXBVXZLFZCM-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.45
Rot. Bonds1

About 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid

1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid (PubChem CID 174691520) has the molecular formula C7H20N2O3 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid.

Molecular Properties

Compound Name1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
PubChem CID174691520
Molecular FormulaC7H20N2O3
Molecular Weight180.25 g/mol
Exact Mass180.15
IUPAC Name1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid
SMILESCCC(N)O.CN(C)C.O=CO
InChIInChI=1S/C3H9NO.C3H9N.CH2O2/c1-2-3(4)5;1-4(2)3;2-1-3/h3,5H,2,4H2,1H3;1-3H3;1H,(H,2,3)
InChIKeyNWMMXBVXZLFZCM-UHFFFAOYSA-N
XLogP-0.45
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminopropan-1-ol;hydrochloride
CID 18547293
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
1-chloropropan-1-amine;N,N-dimethylmethanamine
CID 87947838
formamide;formic acid
CID 22670458
(E,4R,5S,6R)-6-amino-4,5-dihydroxyoct-2-enal
CID 89046836
N,N-dimethylformamide;2-ethylbutanamide
CID 118917996
formamide;propane
CID 157485798
2-amino-N,N-dimethylbutanamide
CID 43649466
3-hydroxypentanal;methanamine
CID 174648159
2-amino-3-[(dimethylamino)methyl]pentanal;methanamine
CID 142076811
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid
CID 87204764

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid?
The IUPAC name of 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid (CID 174691520) is 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid.
What is the SMILES notation for 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid?
The canonical SMILES for 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid is CCC(N)O.CN(C)C.O=CO.
What is the InChIKey of 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid?
The InChIKey is NWMMXBVXZLFZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C3H9N.CH2O2/c1-2-3(4)5;1-4(2)3;2-1-3/h3,5H,2,4H2,1H3;1-3H3;1H,(H,2,3).
What are the key properties of 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid?
1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid has a molecular weight of 180.25 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;N,N-dimethylmethanamine;formic acid is sourced from PubChem (CID 174691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).