10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine

C19H13N3 — CID 162670500

IUPAC10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine
SMILESNc1nc2ccccc2c2cc3[nH]c4ccccc4c3cc12
InChIInChI=1S/C19H13N3/c20-19-15-9-14-12-6-2-3-7-16(12)21-18(14)10-13(15)11-5-1-4-8-17(11)22-19/h1-10,21H,(H2,20,22)
InChIKeyPUFZKYBUBSIYNK-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.60
Rot. Bonds

About 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine

10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine (PubChem CID 162670500) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine.

Molecular Properties

Compound Name10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine
PubChem CID162670500
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine
SMILESNc1nc2ccccc2c2cc3[nH]c4ccccc4c3cc12
InChIInChI=1S/C19H13N3/c20-19-15-9-14-12-6-2-3-7-16(12)21-18(14)10-13(15)11-5-1-4-8-17(11)22-19/h1-10,21H,(H2,20,22)
InChIKeyPUFZKYBUBSIYNK-UHFFFAOYSA-N
XLogP4.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine?
The IUPAC name of 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine (CID 162670500) is 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine.
What is the SMILES notation for 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine?
The canonical SMILES for 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine is Nc1nc2ccccc2c2cc3[nH]c4ccccc4c3cc12.
What is the InChIKey of 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine?
The InChIKey is PUFZKYBUBSIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c20-19-15-9-14-12-6-2-3-7-16(12)21-18(14)10-13(15)11-5-1-4-8-17(11)22-19/h1-10,21H,(H2,20,22).
What are the key properties of 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine?
10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine has a molecular weight of 283.33 g/mol, XLogP of 4.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-amine is sourced from PubChem (CID 162670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).