2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine

C13H17N3O — CID 113283613

IUPAC2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H17N3O/c1-13(8-14,9-6-7-9)16-12-15-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyFQZFFYHLTNLGHC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.37
Rot. Bonds4

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

2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine (PubChem CID 113283613) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
PubChem CID113283613
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H17N3O/c1-13(8-14,9-6-7-9)16-12-15-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyFQZFFYHLTNLGHC-UHFFFAOYSA-N
XLogP2.37
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
CID 113283917
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
CID 70938203
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
2-(1,3-benzoxazol-2-ylamino)-2-ethylpropane-1,3-diol
CID 113252094
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine (CID 113283613) is 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine is CC(CN)(Nc1nc2ccccc2o1)C1CC1.
What is the InChIKey of 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine?
The InChIKey is FQZFFYHLTNLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(8-14,9-6-7-9)16-12-15-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine?
2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.37, 4 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-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 113283613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).