1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol

C13H30N2O — CID 114493013

IUPAC1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
SMILESCCN(CC)CC(C)NCC(C)(O)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)9-12(5)14-10-13(6,16)11(3)4/h11-12,14,16H,7-10H2,1-6H3
InChIKeyVBOJAQUSTFUJPB-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds8

About 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol

1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol (PubChem CID 114493013) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
PubChem CID114493013
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
SMILESCCN(CC)CC(C)NCC(C)(O)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)9-12(5)14-10-13(6,16)11(3)4/h11-12,14,16H,7-10H2,1-6H3
InChIKeyVBOJAQUSTFUJPB-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
2-(diethylamino)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111483937
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
CID 106547113
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol (CID 114493013) is 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol is CCN(CC)CC(C)NCC(C)(O)C(C)C.
What is the InChIKey of 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is VBOJAQUSTFUJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-15(8-2)9-12(5)14-10-13(6,16)11(3)4/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol?
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).