O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine

C15H19N3O — CID 117396834

IUPACO-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C15H19N3O/c16-19-9-6-11-2-1-3-12-13-10-4-7-18(8-5-10)15(13)17-14(11)12/h1-3,10,17H,4-9,16H2
InChIKeyPSFIXAIJXRFBQP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds3

About O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine

O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine (PubChem CID 117396834) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine
PubChem CID117396834
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameO-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C15H19N3O/c16-19-9-6-11-2-1-3-12-13-10-4-7-18(8-5-10)15(13)17-14(11)12/h1-3,10,17H,4-9,16H2
InChIKeyPSFIXAIJXRFBQP-UHFFFAOYSA-N
XLogP2.30
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
CID 117391793
2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
CID 117347244
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol
CID 117424791
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclobutan-1-amine
CID 117422207
2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-2-oxoacetic acid
CID 117428851
3-amino-2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)propanoic acid
CID 117459668
5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
CID 117448028
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-3-methylbutanoic acid
CID 117480955
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
CID 83986251
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)propanal
CID 117389342
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine
CID 117355747
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
CID 117426993

Frequently Asked Questions

What is the IUPAC name of O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine (CID 117396834) is O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine is NOCCc1cccc2c3c([nH]c12)N1CCC3CC1.
What is the InChIKey of O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine?
The InChIKey is PSFIXAIJXRFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-19-9-6-11-2-1-3-12-13-10-4-7-18(8-5-10)15(13)17-14(11)12/h1-3,10,17H,4-9,16H2.
What are the key properties of O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine?
O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine has a molecular weight of 257.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117396834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).