6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H26N2O2 — CID 114945095

IUPAC6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCCCN(C)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-6-8-16(4)12(17)14(15)10-7-9-18-11(10)13(14,2)3/h10-11H,5-9,15H2,1-4H3
InChIKeyXJERXCHIRCAGAC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds4

About 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945095) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945095
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCCCCN(C)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-6-8-16(4)12(17)14(15)10-7-9-18-11(10)13(14,2)3/h10-11H,5-9,15H2,1-4H3
InChIKeyXJERXCHIRCAGAC-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106915296
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
6-amino-7,7-dimethyl-N-prop-2-enyl-N-propyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946484
6-amino-N-(cyclopropylmethyl)-N-ethyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946101
6-amino-N-(1-cyanopropan-2-yl)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946022
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-cyclopropylamino]acetic acid
CID 114945708
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-N-ethyl-N-(2-ethylbutyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945446
methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
CID 114945591
6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945161
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-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945095) is 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CCCCN(C)C(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is XJERXCHIRCAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-6-8-16(4)12(17)14(15)10-7-9-18-11(10)13(14,2)3/h10-11H,5-9,15H2,1-4H3.
What are the key properties of 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).