4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide

C16H26N2O — CID 79207921

IUPAC4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C1C=CC(N)C1
InChIInChI=1S/C16H26N2O/c1-15(2)11-6-7-16(3,9-11)14(15)18-13(19)10-4-5-12(17)8-10/h4-5,10-12,14H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyBUDYSTKMGCLITN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds2

About 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207921) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207921
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C1C=CC(N)C1
InChIInChI=1S/C16H26N2O/c1-15(2)11-6-7-16(3,9-11)14(15)18-13(19)10-4-5-12(17)8-10/h4-5,10-12,14H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyBUDYSTKMGCLITN-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide (CID 79207921) is 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is BUDYSTKMGCLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2)11-6-7-16(3,9-11)14(15)18-13(19)10-4-5-12(17)8-10/h4-5,10-12,14H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).