(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol

C9H22N2O2 — CID 62641406

IUPAC(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
SMILESCC(C)N(C)CCNC[C@H](O)CO
InChIInChI=1S/C9H22N2O2/c1-8(2)11(3)5-4-10-6-9(13)7-12/h8-10,12-13H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyGDEPZRABALWRNT-VIFPVBQESA-N
MW190.29 g/mol
LogP-0.73
Rot. Bonds7

About (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol

(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol (PubChem CID 62641406) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
PubChem CID62641406
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
SMILESCC(C)N(C)CCNC[C@H](O)CO
InChIInChI=1S/C9H22N2O2/c1-8(2)11(3)5-4-10-6-9(13)7-12/h8-10,12-13H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyGDEPZRABALWRNT-VIFPVBQESA-N
XLogP-0.73
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.73
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-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
CID 89396769
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640128
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N-(2-hydrazinylethyl)-N-methylpropan-2-amine
CID 91618347

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol (CID 62641406) is (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol is CC(C)N(C)CCNC[C@H](O)CO.
What is the InChIKey of (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The InChIKey is GDEPZRABALWRNT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(2)11(3)5-4-10-6-9(13)7-12/h8-10,12-13H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol?
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol has a molecular weight of 190.29 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol is sourced from PubChem (CID 62641406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).