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

C13H30N2O — CID 115474899

IUPAC1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCCN(CC(C)C)CC(O)CNCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(9-12(4)5)10-13(16)8-14-7-11(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyMGZJDOKGLICSJW-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.57
Rot. Bonds9

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

1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115474899) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
PubChem CID115474899
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCCN(CC(C)C)CC(O)CNCC(C)C
InChIInChI=1S/C13H30N2O/c1-6-15(9-12(4)5)10-13(16)8-14-7-11(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyMGZJDOKGLICSJW-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
CID 55011512
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 66173067
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol (CID 115474899) is 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol is CCN(CC(C)C)CC(O)CNCC(C)C.
What is the InChIKey of 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is MGZJDOKGLICSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-15(9-12(4)5)10-13(16)8-14-7-11(2)3/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol?
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115474899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).