N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine

C11H15N3O — CID 83832881

IUPACN'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine
SMILESCc1cccc2c(N(C)CCN)noc12
InChIInChI=1S/C11H15N3O/c1-8-4-3-5-9-10(8)15-13-11(9)14(2)7-6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyBUWMEDILRHCMEQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds3

About N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine

N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine (PubChem CID 83832881) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine
PubChem CID83832881
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine
SMILESCc1cccc2c(N(C)CCN)noc12
InChIInChI=1S/C11H15N3O/c1-8-4-3-5-9-10(8)15-13-11(9)14(2)7-6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyBUWMEDILRHCMEQ-UHFFFAOYSA-N
XLogP1.53
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
2-[methyl-(7-methyl-1,2-benzoxazol-3-yl)amino]propanoic acid
CID 83841382
3-bromo-7-methyl-1,2-benzoxazole
CID 83835183
1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83832884
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83834384
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
CID 83877468
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
CID 139317380
3-[methyl(propan-2-yl)amino]-1,2-benzoxazole-7-carboxylic acid
CID 83841357
N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83830325

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine (CID 83832881) is N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine is Cc1cccc2c(N(C)CCN)noc12.
What is the InChIKey of N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The InChIKey is BUWMEDILRHCMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-3-5-9-10(8)15-13-11(9)14(2)7-6-12/h3-5H,6-7,12H2,1-2H3.
What are the key properties of N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 83832881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).