5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile

C15H23N3 — CID 83207690

IUPAC5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
SMILESCNC1CCCCc2cn(CCCCC#N)cc21
InChIInChI=1S/C15H23N3/c1-17-15-8-4-3-7-13-11-18(12-14(13)15)10-6-2-5-9-16/h11-12,15,17H,2-8,10H2,1H3
InChIKeyGBPRNWLKDJRDGB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.17
Rot. Bonds5

About 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile

5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile (PubChem CID 83207690) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
PubChem CID83207690
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
SMILESCNC1CCCCc2cn(CCCCC#N)cc21
InChIInChI=1S/C15H23N3/c1-17-15-8-4-3-7-13-11-18(12-14(13)15)10-6-2-5-9-16/h11-12,15,17H,2-8,10H2,1H3
InChIKeyGBPRNWLKDJRDGB-UHFFFAOYSA-N
XLogP3.17
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile?
The IUPAC name of 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile (CID 83207690) is 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile?
The canonical SMILES for 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile is CNC1CCCCc2cn(CCCCC#N)cc21.
What is the InChIKey of 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile?
The InChIKey is GBPRNWLKDJRDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-15-8-4-3-7-13-11-18(12-14(13)15)10-6-2-5-9-16/h11-12,15,17H,2-8,10H2,1H3.
What are the key properties of 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile?
5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile has a molecular weight of 245.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile is sourced from PubChem (CID 83207690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).