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

C16H27N3O — CID 83208515

IUPAC2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cc2c(c1)C(N)CCCC2
InChIInChI=1S/C16H27N3O/c1-4-16(2,3)18-15(20)11-19-9-12-7-5-6-8-14(17)13(12)10-19/h9-10,14H,4-8,11,17H2,1-3H3,(H,18,20)
InChIKeyHGYCARXUNMUMFM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.52
Rot. Bonds4

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

2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 83208515) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID83208515
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cc2c(c1)C(N)CCCC2
InChIInChI=1S/C16H27N3O/c1-4-16(2,3)18-15(20)11-19-9-12-7-5-6-8-14(17)13(12)10-19/h9-10,14H,4-8,11,17H2,1-3H3,(H,18,20)
InChIKeyHGYCARXUNMUMFM-UHFFFAOYSA-N
XLogP2.52
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide (CID 83208515) is 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1cc2c(c1)C(N)CCCC2.
What is the InChIKey of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is HGYCARXUNMUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-16(2,3)18-15(20)11-19-9-12-7-5-6-8-14(17)13(12)10-19/h9-10,14H,4-8,11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 83208515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).