N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C18H22N2O — CID 141293161

IUPACN-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCN(C)CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1
InChIInChI=1S/C18H22N2O/c1-20(2)11-18(7-3-4-8-18)19-17(21)14-6-5-13-15-9-12(15)10-16(13)14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyGUJMBYRXOIJSML-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.48
Rot. Bonds4

About N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293161) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293161
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCN(C)CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1
InChIInChI=1S/C18H22N2O/c1-20(2)11-18(7-3-4-8-18)19-17(21)14-6-5-13-15-9-12(15)10-16(13)14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyGUJMBYRXOIJSML-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293161) is N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CN(C)CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1.
What is the InChIKey of N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is GUJMBYRXOIJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)11-18(7-3-4-8-18)19-17(21)14-6-5-13-15-9-12(15)10-16(13)14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dimethylamino)methyl]cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).