2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol

C15H34N2O — CID 61048423

IUPAC2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCCN(CC)CC
InChIInChI=1S/C15H34N2O/c1-6-14(5)12-15(7-2,13-18)16-10-11-17(8-3)9-4/h14,16,18H,6-13H2,1-5H3
InChIKeyRMAHUJRFKXJQBD-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.50
Rot. Bonds11

About 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol

2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol (PubChem CID 61048423) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol
PubChem CID61048423
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCCN(CC)CC
InChIInChI=1S/C15H34N2O/c1-6-14(5)12-15(7-2,13-18)16-10-11-17(8-3)9-4/h14,16,18H,6-13H2,1-5H3
InChIKeyRMAHUJRFKXJQBD-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide
CID 54891979
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517803
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955
2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
CID 61005954
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
2,2,4-trimethylhexan-1-ol
CID 14747424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol (CID 61048423) is 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol is CCC(C)CC(CC)(CO)NCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol?
The InChIKey is RMAHUJRFKXJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-6-14(5)12-15(7-2,13-18)16-10-11-17(8-3)9-4/h14,16,18H,6-13H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol?
2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol is sourced from PubChem (CID 61048423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).