2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine

C15H22N4O — CID 79893310

IUPAC2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
SMILESCN(CCNc1nc2ccc(N)cc2o1)C1CCCC1
InChIInChI=1S/C15H22N4O/c1-19(12-4-2-3-5-12)9-8-17-15-18-13-7-6-11(16)10-14(13)20-15/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyMLSWFVBDAPVWTH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.70
Rot. Bonds5

About 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine

2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine (PubChem CID 79893310) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
PubChem CID79893310
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
SMILESCN(CCNc1nc2ccc(N)cc2o1)C1CCCC1
InChIInChI=1S/C15H22N4O/c1-19(12-4-2-3-5-12)9-8-17-15-18-13-7-6-11(16)10-14(13)20-15/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyMLSWFVBDAPVWTH-UHFFFAOYSA-N
XLogP2.70
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578
2-N-(cyclohexylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891086
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
[2-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclohexyl]methanol
CID 79892810
2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79893362
2-N-(3-propoxypropyl)-1,3-benzoxazole-2,6-diamine
CID 82941930
2-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79892483
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
2-[(6-amino-1,3-benzoxazol-2-yl)amino]ethylurea
CID 83116991
2-[3-[(6-amino-1,3-benzoxazol-2-yl)amino]propoxy]ethanol
CID 106308873
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
2-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine (CID 79893310) is 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine is CN(CCNc1nc2ccc(N)cc2o1)C1CCCC1.
What is the InChIKey of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine?
The InChIKey is MLSWFVBDAPVWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(12-4-2-3-5-12)9-8-17-15-18-13-7-6-11(16)10-14(13)20-15/h6-7,10,12H,2-5,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine?
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79893310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).