1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol

C13H31N3O — CID 55011512

IUPAC1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H31N3O/c1-6-14-9-13(17)11-16(10-12(2)3)8-7-15(4)5/h12-14,17H,6-11H2,1-5H3
InChIKeySOCWEODQGMZFBM-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.48
Rot. Bonds10

About 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol

1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol (PubChem CID 55011512) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
PubChem CID55011512
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H31N3O/c1-6-14-9-13(17)11-16(10-12(2)3)8-7-15(4)5/h12-14,17H,6-11H2,1-5H3
InChIKeySOCWEODQGMZFBM-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
CID 22055175
N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
CID 55056372
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-[1-cyclopropylethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 43569024
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol (CID 55011512) is 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol is CCNCC(O)CN(CCN(C)C)CC(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol?
The InChIKey is SOCWEODQGMZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-6-14-9-13(17)11-16(10-12(2)3)8-7-15(4)5/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol?
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 55011512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).