1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol

C14H32N2O2 — CID 66173067

IUPAC1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
SMILESCCN(CC)CC(O)CNCC(C)(O)CC(C)C
InChIInChI=1S/C14H32N2O2/c1-6-16(7-2)10-13(17)9-15-11-14(5,18)8-12(3)4/h12-13,15,17-18H,6-11H2,1-5H3
InChIKeyGPZGRAUJLDINKI-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.08
Rot. Bonds10

About 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 66173067) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID66173067
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
SMILESCCN(CC)CC(O)CNCC(C)(O)CC(C)C
InChIInChI=1S/C14H32N2O2/c1-6-16(7-2)10-13(17)9-15-11-14(5,18)8-12(3)4/h12-13,15,17-18H,6-11H2,1-5H3
InChIKeyGPZGRAUJLDINKI-UHFFFAOYSA-N
XLogP1.08
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 114169381
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 106932260
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
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
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol (CID 66173067) is 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol is CCN(CC)CC(O)CNCC(C)(O)CC(C)C.
What is the InChIKey of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is GPZGRAUJLDINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-6-16(7-2)10-13(17)9-15-11-14(5,18)8-12(3)4/h12-13,15,17-18H,6-11H2,1-5H3.
What are the key properties of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 260.42 g/mol, XLogP of 1.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).