3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane

C19H32N2 — CID 59063341

IUPAC3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane
SMILESC1CCC2NC3C(CC2C1)CC1CC2CCCCC2NC13
InChIInChI=1S/C19H32N2/c1-3-7-16-12(5-1)9-14-11-15-10-13-6-2-4-8-17(13)21-19(15)18(14)20-16/h12-21H,1-11H2
InChIKeySTCPKTGAQDEPCK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.46
Rot. Bonds

About 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane

3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane (PubChem CID 59063341) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane.

Molecular Properties

Compound Name3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane
PubChem CID59063341
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane
SMILESC1CCC2NC3C(CC2C1)CC1CC2CCCCC2NC13
InChIInChI=1S/C19H32N2/c1-3-7-16-12(5-1)9-14-11-15-10-13-6-2-4-8-17(13)21-19(15)18(14)20-16/h12-21H,1-11H2
InChIKeySTCPKTGAQDEPCK-UHFFFAOYSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 638054
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CID 43211928
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CID 53473105
2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
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CID 124506458
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151
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CID 18604834
bicyclo[21.1.0]tetracosane
CID 123789596

Frequently Asked Questions

What is the IUPAC name of 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The IUPAC name of 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane (CID 59063341) is 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane.
What is the SMILES notation for 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The canonical SMILES for 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane is C1CCC2NC3C(CC2C1)CC1CC2CCCCC2NC13.
What is the InChIKey of 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The InChIKey is STCPKTGAQDEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-7-16-12(5-1)9-14-11-15-10-13-6-2-4-8-17(13)21-19(15)18(14)20-16/h12-21H,1-11H2.
What are the key properties of 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane has a molecular weight of 288.48 g/mol, XLogP of 3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane is sourced from PubChem (CID 59063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).