1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C15H22N4O2 — CID 65116944

IUPAC1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccc(N)c3nonc23)CC1
InChIInChI=1S/C15H22N4O2/c1-2-10-5-7-15(20,8-6-10)9-17-12-4-3-11(16)13-14(12)19-21-18-13/h3-4,10,17,20H,2,5-9,16H2,1H3
InChIKeyFFONAJQATOZWTP-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116944) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116944
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccc(N)c3nonc23)CC1
InChIInChI=1S/C15H22N4O2/c1-2-10-5-7-15(20,8-6-10)9-17-12-4-3-11(16)13-14(12)19-21-18-13/h3-4,10,17,20H,2,5-9,16H2,1H3
InChIKeyFFONAJQATOZWTP-UHFFFAOYSA-N
XLogP2.55
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 65116944) is 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2ccc(N)c3nonc23)CC1.
What is the InChIKey of 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is FFONAJQATOZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-10-5-7-15(20,8-6-10)9-17-12-4-3-11(16)13-14(12)19-21-18-13/h3-4,10,17,20H,2,5-9,16H2,1H3.
What are the key properties of 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).