2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine

C14H19N3O — CID 79995589

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCN(Cc1nc2ccc(N)cc2o1)C1CCCC1
InChIInChI=1S/C14H19N3O/c1-17(11-4-2-3-5-11)9-14-16-12-7-6-10(15)8-13(12)18-14/h6-8,11H,2-5,9,15H2,1H3
InChIKeyUSWNFDSEZVVASS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.78
Rot. Bonds3

About 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine

2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine (PubChem CID 79995589) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
PubChem CID79995589
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCN(Cc1nc2ccc(N)cc2o1)C1CCCC1
InChIInChI=1S/C14H19N3O/c1-17(11-4-2-3-5-11)9-14-16-12-7-6-10(15)8-13(12)18-14/h6-8,11H,2-5,9,15H2,1H3
InChIKeyUSWNFDSEZVVASS-UHFFFAOYSA-N
XLogP2.78
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.78
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-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
CID 79893310
2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
CID 82732996
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995079
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-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-[[ethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994769
2-[(3-methylcyclohexyl)sulfonylmethyl]-1,3-benzoxazol-6-amine
CID 79998646
2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
CID 79959943
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-benzoxazol-6-amine
CID 79994684
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine (CID 79995589) is 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine is CN(Cc1nc2ccc(N)cc2o1)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine?
The InChIKey is USWNFDSEZVVASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(11-4-2-3-5-11)9-14-16-12-7-6-10(15)8-13(12)18-14/h6-8,11H,2-5,9,15H2,1H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine?
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79995589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).