1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

C13H31N3O — CID 62641033

IUPAC1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCN(C)C(C)C
InChIInChI=1S/C13H31N3O/c1-6-16(7-2)11-13(17)10-14-8-9-15(5)12(3)4/h12-14,17H,6-11H2,1-5H3
InChIKeyABKKCNARGHMIOH-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.62
Rot. Bonds10

About 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 62641033) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
PubChem CID62641033
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCN(C)C(C)C
InChIInChI=1S/C13H31N3O/c1-6-16(7-2)11-13(17)10-14-8-9-15(5)12(3)4/h12-14,17H,6-11H2,1-5H3
InChIKeyABKKCNARGHMIOH-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640128
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (CID 62641033) is 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is CCN(CC)CC(O)CNCCN(C)C(C)C.
What is the InChIKey of 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is ABKKCNARGHMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-6-16(7-2)11-13(17)10-14-8-9-15(5)12(3)4/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 62641033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).