2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol

C9H22N2O — CID 64797210

IUPAC2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
SMILESCNC(CO)CN(C)CC(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)5-11(4)6-9(7-12)10-3/h8-10,12H,5-7H2,1-4H3
InChIKeyMDVCNPYNKSDGQT-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.15
Rot. Bonds6

About 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol

2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol (PubChem CID 64797210) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
PubChem CID64797210
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
SMILESCNC(CO)CN(C)CC(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)5-11(4)6-9(7-12)10-3/h8-10,12H,5-7H2,1-4H3
InChIKeyMDVCNPYNKSDGQT-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-[methyl(propyl)amino]propan-1-ol
CID 64795916
2-(methylamino)-3-[methyl(propan-2-yl)amino]propan-1-ol
CID 64797175
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827204
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64825412
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
2-[[methyl(2-methylpropyl)amino]methyl]butan-1-ol
CID 115250601
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
3-(dipropylamino)-2-(methylamino)propan-1-ol
CID 64797176
2-(methylamino)pentane-1,4-diol
CID 90884823
1-tert-butyl-3-[(2S)-3-hydroxy-2-(methylamino)propyl]-1,3-dimethylurea
CID 144914028
3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propan-1-ol
CID 64826017

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol?
The IUPAC name of 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol (CID 64797210) is 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol is CNC(CO)CN(C)CC(C)C.
What is the InChIKey of 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol?
The InChIKey is MDVCNPYNKSDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2)5-11(4)6-9(7-12)10-3/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol?
2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol is sourced from PubChem (CID 64797210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).