N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine

C13H19N3O — CID 116948599

IUPACN,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
SMILESCNCCC(NC)c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H19N3O/c1-9-16-12-5-4-10(8-13(12)17-9)11(15-3)6-7-14-2/h4-5,8,11,14-15H,6-7H2,1-3H3
InChIKeyMWTDDBPNZNERIX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.01
Rot. Bonds5

About N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine

N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine (PubChem CID 116948599) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
PubChem CID116948599
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
SMILESCNCCC(NC)c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H19N3O/c1-9-16-12-5-4-10(8-13(12)17-9)11(15-3)6-7-14-2/h4-5,8,11,14-15H,6-7H2,1-3H3
InChIKeyMWTDDBPNZNERIX-UHFFFAOYSA-N
XLogP2.01
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116949342
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116933909
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 116955902
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-(dimethylamino)-2-(2-methyl-1,3-benzoxazol-6-yl)ethanethiol
CID 116908843
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
N-methyl-3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-amine
CID 116853340
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine (CID 116948599) is N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine is CNCCC(NC)c1ccc2nc(C)oc2c1.
What is the InChIKey of N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The InChIKey is MWTDDBPNZNERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-16-12-5-4-10(8-13(12)17-9)11(15-3)6-7-14-2/h4-5,8,11,14-15H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine is sourced from PubChem (CID 116948599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).