6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H26N2O2 — CID 114946484

IUPAC6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESC=CCN(CCC)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)13(18)15(16)11-7-10-19-12(11)14(15,3)4/h5,11-12H,1,6-10,16H2,2-4H3
InChIKeyMDBXIBXIWAQJPS-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.55
Rot. Bonds5

About 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946484) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946484
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESC=CCN(CCC)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)13(18)15(16)11-7-10-19-12(11)14(15,3)4/h5,11-12H,1,6-10,16H2,2-4H3
InChIKeyMDBXIBXIWAQJPS-UHFFFAOYSA-N
XLogP1.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-prop-2-enylamino]acetic acid
CID 114946331
6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101
6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945095
6-amino-N-ethyl-N-(2-ethylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945446
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 114945979
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid
CID 114945708
7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103101969
6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106915296
6-amino-N-(1-cyanopropan-2-yl)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946022
7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948266
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946484) is 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is C=CCN(CCC)C(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is MDBXIBXIWAQJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-8-17(9-6-2)13(18)15(16)11-7-10-19-12(11)14(15,3)4/h5,11-12H,1,6-10,16H2,2-4H3.
What are the key properties of 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).