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

C14H20N4O — CID 83208470

IUPACN-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCNC1CCCCc2cn(CC(=O)NCC#N)cc21
InChIInChI=1S/C14H20N4O/c1-16-13-5-3-2-4-11-8-18(9-12(11)13)10-14(19)17-7-6-15/h8-9,13,16H,2-5,7,10H2,1H3,(H,17,19)
InChIKeyXGXOUSQUHJANCS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.11
Rot. Bonds4

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

N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (PubChem CID 83208470) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
PubChem CID83208470
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCNC1CCCCc2cn(CC(=O)NCC#N)cc21
InChIInChI=1S/C14H20N4O/c1-16-13-5-3-2-4-11-8-18(9-12(11)13)10-14(19)17-7-6-15/h8-9,13,16H,2-5,7,10H2,1H3,(H,17,19)
InChIKeyXGXOUSQUHJANCS-UHFFFAOYSA-N
XLogP1.11
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83213883
N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83207683
N-(cyanomethyl)-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
CID 83208341
5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
CID 83207690
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
CID 83208652
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
CID 83213418
2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone
CID 83214719
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208461
N-(2-methoxyethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203970

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (CID 83208470) is N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is CNC1CCCCc2cn(CC(=O)NCC#N)cc21.
What is the InChIKey of N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The InChIKey is XGXOUSQUHJANCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-13-5-3-2-4-11-8-18(9-12(11)13)10-14(19)17-7-6-15/h8-9,13,16H,2-5,7,10H2,1H3,(H,17,19).
What are the key properties of N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is sourced from PubChem (CID 83208470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).