2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine

C14H21N3O2 — CID 79893060

IUPAC2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
SMILESCCC(C)N(CCOC)c1nc2ccc(N)cc2o1
InChIInChI=1S/C14H21N3O2/c1-4-10(2)17(7-8-18-3)14-16-12-6-5-11(15)9-13(12)19-14/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyFGTZDFJWPBMKMI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds6

About 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine

2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine (PubChem CID 79893060) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
PubChem CID79893060
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
SMILESCCC(C)N(CCOC)c1nc2ccc(N)cc2o1
InChIInChI=1S/C14H21N3O2/c1-4-10(2)17(7-8-18-3)14-16-12-6-5-11(15)9-13(12)19-14/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyFGTZDFJWPBMKMI-UHFFFAOYSA-N
XLogP2.66
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79884734
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994683
3-[(6-amino-1,3-benzoxazol-2-yl)-propan-2-ylamino]propanenitrile
CID 79893497
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995091
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
CID 79892783
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
3-[(6-amino-1,3-benzoxazol-2-yl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 79996157
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
2-N-(2-methylpropyl)-2-N-pentan-3-yl-1,3-benzoxazole-2,5-diamine
CID 79891209
2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine
CID 79893294

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine (CID 79893060) is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine is CCC(C)N(CCOC)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine?
The InChIKey is FGTZDFJWPBMKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-10(2)17(7-8-18-3)14-16-12-6-5-11(15)9-13(12)19-14/h5-6,9-10H,4,7-8,15H2,1-3H3.
What are the key properties of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine?
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine has a molecular weight of 263.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79893060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).