2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine

C14H17N3O — CID 79893019

IUPAC2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine
SMILESNc1ccc2nc(N(CC3CC3)C3CC3)oc2c1
InChIInChI=1S/C14H17N3O/c15-10-3-6-12-13(7-10)18-14(16-12)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,15H2
InChIKeyZWENUQABHUJGMA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds4

About 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine (PubChem CID 79893019) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine
PubChem CID79893019
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine
SMILESNc1ccc2nc(N(CC3CC3)C3CC3)oc2c1
InChIInChI=1S/C14H17N3O/c15-10-3-6-12-13(7-10)18-14(16-12)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,15H2
InChIKeyZWENUQABHUJGMA-UHFFFAOYSA-N
XLogP2.79
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-2-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79882328
2-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79892463
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893343
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 86794329
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890340
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
CID 79892783
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine
CID 83153833
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 105414159

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine (CID 79893019) is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine is Nc1ccc2nc(N(CC3CC3)C3CC3)oc2c1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine?
The InChIKey is ZWENUQABHUJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-3-6-12-13(7-10)18-14(16-12)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,15H2.
What are the key properties of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine?
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79893019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).