1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine

C13H19N3O — CID 116905174

IUPAC1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)C(CCCN)c1ccc2ncoc2c1
InChIInChI=1S/C13H19N3O/c1-16(2)12(4-3-7-14)10-5-6-11-13(8-10)17-9-15-11/h5-6,8-9,12H,3-4,7,14H2,1-2H3
InChIKeyINWPLOFWQFMWQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds5

About 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine

1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 116905174) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
PubChem CID116905174
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)C(CCCN)c1ccc2ncoc2c1
InChIInChI=1S/C13H19N3O/c1-16(2)12(4-3-7-14)10-5-6-11-13(8-10)17-9-15-11/h5-6,8-9,12H,3-4,7,14H2,1-2H3
InChIKeyINWPLOFWQFMWQC-UHFFFAOYSA-N
XLogP2.17
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
CID 116915255
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
CID 116932975
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914373
6-[4-amino-1-(dimethylamino)butyl]-3H-1,3-benzoxazol-2-one
CID 116905182
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine (CID 116905174) is 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine is CN(C)C(CCCN)c1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is INWPLOFWQFMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)12(4-3-7-14)10-5-6-11-13(8-10)17-9-15-11/h5-6,8-9,12H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine?
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116905174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).