N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine

C11H21N3O — CID 60869612

IUPACN,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cnoc1
InChIInChI=1S/C11H21N3O/c1-11(2,9-14(3)4)8-12-5-10-6-13-15-7-10/h6-7,12H,5,8-9H2,1-4H3
InChIKeyKUBYEYMITFMRTM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.35
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 60869612) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
PubChem CID60869612
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cnoc1
InChIInChI=1S/C11H21N3O/c1-11(2,9-14(3)4)8-12-5-10-6-13-15-7-10/h6-7,12H,5,8-9H2,1-4H3
InChIKeyKUBYEYMITFMRTM-UHFFFAOYSA-N
XLogP1.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
CID 87011446
1-(1,2-oxazol-4-ylmethylamino)propan-2-ol
CID 60869048
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 28613557
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 60871062
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 104878338
N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine
CID 103605050
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43217055
N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 115761351
N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28833335
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758883

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine (CID 60869612) is N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine is CN(C)CC(C)(C)CNCc1cnoc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is KUBYEYMITFMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,9-14(3)4)8-12-5-10-6-13-15-7-10/h6-7,12H,5,8-9H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 211.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 60869612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).