N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine

C15H23N3O — CID 115204972

IUPACN'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1ccc2ncoc2c1
InChIInChI=1S/C15H23N3O/c1-15(2,10-16)6-7-18(3)9-12-4-5-13-14(8-12)19-11-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyAQRBUABMJIFFLS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds6

About N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine

N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 115204972) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID115204972
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1ccc2ncoc2c1
InChIInChI=1S/C15H23N3O/c1-15(2,10-16)6-7-18(3)9-12-4-5-13-14(8-12)19-11-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyAQRBUABMJIFFLS-UHFFFAOYSA-N
XLogP2.63
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
3-[[1,3-benzoxazol-6-ylmethyl(methyl)amino]methyl]aniline
CID 115211956
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
3-amino-4-[1,3-benzoxazol-6-ylmethyl(methyl)amino]butanoic acid
CID 115241766
1,3-benzoxazol-6-ylmethanamine
CID 55219292
3-[1,3-benzoxazol-6-ylmethyl(methyl)amino]propane-1,2-diol
CID 115122233
4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
CID 115157280
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine (CID 115204972) is N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)Cc1ccc2ncoc2c1.
What is the InChIKey of N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is AQRBUABMJIFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,10-16)6-7-18(3)9-12-4-5-13-14(8-12)19-11-17-13/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).