1,1-diamino-3-methoxypropan-2-ol

C4H12N2O2 — CID 126732231

IUPAC1,1-diamino-3-methoxypropan-2-ol
SMILESCOCC(O)C(N)N
InChIInChI=1S/C4H12N2O2/c1-8-2-3(7)4(5)6/h3-4,7H,2,5-6H2,1H3
InChIKeyBPZMSUWVEQTBTJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.76
Rot. Bonds3

About 1,1-diamino-3-methoxypropan-2-ol

1,1-diamino-3-methoxypropan-2-ol (PubChem CID 126732231) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1,1-diamino-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1,1-diamino-3-methoxypropan-2-ol
PubChem CID126732231
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name1,1-diamino-3-methoxypropan-2-ol
SMILESCOCC(O)C(N)N
InChIInChI=1S/C4H12N2O2/c1-8-2-3(7)4(5)6/h3-4,7H,2,5-6H2,1H3
InChIKeyBPZMSUWVEQTBTJ-UHFFFAOYSA-N
XLogP-1.76
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-methoxypentan-2-ol
CID 79568083
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite
CID 126739900
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
(2S,4R,5R)-2-amino-1,5-dihydroxy-4,6-dimethoxyhexan-3-one
CID 54235529
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
1,5-dimethoxypentane-2,4-diol
CID 88937884

Frequently Asked Questions

What is the IUPAC name of 1,1-diamino-3-methoxypropan-2-ol?
The IUPAC name of 1,1-diamino-3-methoxypropan-2-ol (CID 126732231) is 1,1-diamino-3-methoxypropan-2-ol.
What is the SMILES notation for 1,1-diamino-3-methoxypropan-2-ol?
The canonical SMILES for 1,1-diamino-3-methoxypropan-2-ol is COCC(O)C(N)N.
What is the InChIKey of 1,1-diamino-3-methoxypropan-2-ol?
The InChIKey is BPZMSUWVEQTBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-8-2-3(7)4(5)6/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1,1-diamino-3-methoxypropan-2-ol?
1,1-diamino-3-methoxypropan-2-ol has a molecular weight of 120.15 g/mol, XLogP of -1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diamino-3-methoxypropan-2-ol is sourced from PubChem (CID 126732231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).