1-pentyldiazepine

C10H16N2 — CID 67868905

IUPAC1-pentyldiazepine
SMILESCCCCCN1C=CC=CC=N1
InChIInChI=1S/C10H16N2/c1-2-3-6-9-12-10-7-4-5-8-11-12/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyPOSAOZQDSMQXSK-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds4

About 1-pentyldiazepine

1-pentyldiazepine (PubChem CID 67868905) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-pentyldiazepine.

Molecular Properties

Compound Name1-pentyldiazepine
PubChem CID67868905
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-pentyldiazepine
SMILESCCCCCN1C=CC=CC=N1
InChIInChI=1S/C10H16N2/c1-2-3-6-9-12-10-7-4-5-8-11-12/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyPOSAOZQDSMQXSK-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyldiazepine?
The IUPAC name of 1-pentyldiazepine (CID 67868905) is 1-pentyldiazepine.
What is the SMILES notation for 1-pentyldiazepine?
The canonical SMILES for 1-pentyldiazepine is CCCCCN1C=CC=CC=N1.
What is the InChIKey of 1-pentyldiazepine?
The InChIKey is POSAOZQDSMQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-6-9-12-10-7-4-5-8-11-12/h4-5,7-8,10H,2-3,6,9H2,1H3.
What are the key properties of 1-pentyldiazepine?
1-pentyldiazepine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyldiazepine is sourced from PubChem (CID 67868905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).