N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine

C12H17N3O — CID 116934938

IUPACN'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc2nc(C)oc2c1
InChIInChI=1S/C12H17N3O/c1-3-14-7-10(13)9-4-5-11-12(6-9)16-8(2)15-11/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyTVCDYLIXCVBYSC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.75
Rot. Bonds4

About N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine

N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine (PubChem CID 116934938) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
PubChem CID116934938
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc2nc(C)oc2c1
InChIInChI=1S/C12H17N3O/c1-3-14-7-10(13)9-4-5-11-12(6-9)16-8(2)15-11/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyTVCDYLIXCVBYSC-UHFFFAOYSA-N
XLogP1.75
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
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
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116945511
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
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
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
3-amino-4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115241697
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine (CID 116934938) is N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine is CCNCC(N)c1ccc2nc(C)oc2c1.
What is the InChIKey of N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The InChIKey is TVCDYLIXCVBYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-14-7-10(13)9-4-5-11-12(6-9)16-8(2)15-11/h4-6,10,14H,3,7,13H2,1-2H3.
What are the key properties of N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 116934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).