2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine

C14H21N3O — CID 113283917

IUPAC2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc2ccccc2o1
InChIInChI=1S/C14H21N3O/c1-10(2)8-14(3,9-15)17-13-16-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHJQQCDWNVGOAFS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.00
Rot. Bonds5

About 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine

2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 113283917) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
PubChem CID113283917
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc2ccccc2o1
InChIInChI=1S/C14H21N3O/c1-10(2)8-14(3,9-15)17-13-16-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHJQQCDWNVGOAFS-UHFFFAOYSA-N
XLogP3.00
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
CID 113283613
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
2-(1,3-benzoxazol-2-ylamino)-2-ethylpropane-1,3-diol
CID 113252094
N-propyl-1,3-benzoxazol-2-amine
CID 584386

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine (CID 113283917) is 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1nc2ccccc2o1.
What is the InChIKey of 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is HJQQCDWNVGOAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)8-14(3,9-15)17-13-16-11-6-4-5-7-12(11)18-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 247.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 113283917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).