N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine

C15H23N3O — CID 116945914

IUPACN'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc2oc(C)nc2c1
InChIInChI=1S/C15H23N3O/c1-9(2)12(8-17-4)15(16)11-5-6-14-13(7-11)18-10(3)19-14/h5-7,9,12,15,17H,8,16H2,1-4H3
InChIKeyHRGLACPRNXMJJV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds5

About N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine

N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945914) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945914
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1ccc2oc(C)nc2c1
InChIInChI=1S/C15H23N3O/c1-9(2)12(8-17-4)15(16)11-5-6-14-13(7-11)18-10(3)19-14/h5-7,9,12,15,17H,8,16H2,1-4H3
InChIKeyHRGLACPRNXMJJV-UHFFFAOYSA-N
XLogP2.63
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934071
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
3-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934225
1-(1,3-benzodioxol-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945872
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230
1-(4-ethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945849
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116945914) is N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(N)c1ccc2oc(C)nc2c1.
What is the InChIKey of N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is HRGLACPRNXMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)12(8-17-4)15(16)11-5-6-14-13(7-11)18-10(3)19-14/h5-7,9,12,15,17H,8,16H2,1-4H3.
What are the key properties of N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).