1-azido-2-nonylcyclononane

C18H35N3 — CID 141136594

IUPAC1-azido-2-nonylcyclononane
SMILESCCCCCCCCCC1CCCCCCCC1N=[N+]=[N-]
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-18(17)20-21-19/h17-18H,2-16H2,1H3
InChIKeyBFXRCVRJNLAMPP-UHFFFAOYSA-N
MW293.50 g/mol
LogP7.17
Rot. Bonds9

About 1-azido-2-nonylcyclononane

1-azido-2-nonylcyclononane (PubChem CID 141136594) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-azido-2-nonylcyclononane.

Molecular Properties

Compound Name1-azido-2-nonylcyclononane
PubChem CID141136594
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-azido-2-nonylcyclononane
SMILESCCCCCCCCCC1CCCCCCCC1N=[N+]=[N-]
InChIInChI=1S/C18H35N3/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-18(17)20-21-19/h17-18H,2-16H2,1H3
InChIKeyBFXRCVRJNLAMPP-UHFFFAOYSA-N
XLogP7.17
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-nonylcyclononane?
The IUPAC name of 1-azido-2-nonylcyclononane (CID 141136594) is 1-azido-2-nonylcyclononane.
What is the SMILES notation for 1-azido-2-nonylcyclononane?
The canonical SMILES for 1-azido-2-nonylcyclononane is CCCCCCCCCC1CCCCCCCC1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-nonylcyclononane?
The InChIKey is BFXRCVRJNLAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-18(17)20-21-19/h17-18H,2-16H2,1H3.
What are the key properties of 1-azido-2-nonylcyclononane?
1-azido-2-nonylcyclononane has a molecular weight of 293.50 g/mol, XLogP of 7.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-nonylcyclononane is sourced from PubChem (CID 141136594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).