2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide

C22H27N3O — CID 21483830

IUPAC2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide
SMILESCN(C)CC/N=C1\c2ccccc2CCc2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C22H27N3O/c1-24(2)14-13-23-21-19-8-6-5-7-16(19)9-10-17-11-12-18(15-20(17)21)22(26)25(3)4/h5-8,11-12,15H,9-10,13-14H2,1-4H3/b23-21+
InChIKeyOCKKYJJSHYRCQC-XTQSDGFTSA-N
MW349.48 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide

2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide (PubChem CID 21483830) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide
PubChem CID21483830
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide
SMILESCN(C)CC/N=C1\c2ccccc2CCc2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C22H27N3O/c1-24(2)14-13-23-21-19-8-6-5-7-16(19)9-10-17-11-12-18(15-20(17)21)22(26)25(3)4/h5-8,11-12,15H,9-10,13-14H2,1-4H3/b23-21+
InChIKeyOCKKYJJSHYRCQC-XTQSDGFTSA-N
XLogP2.89
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide (CID 21483830) is 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide is CN(C)CC/N=C1\c2ccccc2CCc2ccc(C(=O)N(C)C)cc21.
What is the InChIKey of 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide?
The InChIKey is OCKKYJJSHYRCQC-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(2)14-13-23-21-19-8-6-5-7-16(19)9-10-17-11-12-18(15-20(17)21)22(26)25(3)4/h5-8,11-12,15H,9-10,13-14H2,1-4H3/b23-21+.
What are the key properties of 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide?
2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylimino]-N,N-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 21483830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).