3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol

C8H20N2O2 — CID 82850479

IUPAC3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
SMILESCNCCCN(C)CC(O)CO
InChIInChI=1S/C8H20N2O2/c1-9-4-3-5-10(2)6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyGTZCNTBGBJFQOJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.12
Rot. Bonds7

About 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol

3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol (PubChem CID 82850479) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
PubChem CID82850479
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
SMILESCNCCCN(C)CC(O)CO
InChIInChI=1S/C8H20N2O2/c1-9-4-3-5-10(2)6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyGTZCNTBGBJFQOJ-UHFFFAOYSA-N
XLogP-1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
(2S)-6-(methylamino)hexane-1,2-diol
CID 89283618
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
CID 155485180
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
4-[3-chloropropyl(methyl)amino]-2-(methylamino)butane-1,3-diol
CID 87788313
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol?
The IUPAC name of 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol (CID 82850479) is 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol is CNCCCN(C)CC(O)CO.
What is the InChIKey of 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol?
The InChIKey is GTZCNTBGBJFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-9-4-3-5-10(2)6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol?
3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol has a molecular weight of 176.26 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol is sourced from PubChem (CID 82850479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).