N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide

C12H22N2O2 — CID 116651608

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide
SMILESCN(C(=O)C1CCCOC1)C(CN)C1CC1
InChIInChI=1S/C12H22N2O2/c1-14(11(7-13)9-4-5-9)12(15)10-3-2-6-16-8-10/h9-11H,2-8,13H2,1H3
InChIKeyFZTYJUFVAUQNMJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide (PubChem CID 116651608) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide
PubChem CID116651608
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide
SMILESCN(C(=O)C1CCCOC1)C(CN)C1CC1
InChIInChI=1S/C12H22N2O2/c1-14(11(7-13)9-4-5-9)12(15)10-3-2-6-16-8-10/h9-11H,2-8,13H2,1H3
InChIKeyFZTYJUFVAUQNMJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide (CID 116651608) is N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide is CN(C(=O)C1CCCOC1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide?
The InChIKey is FZTYJUFVAUQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(11(7-13)9-4-5-9)12(15)10-3-2-6-16-8-10/h9-11H,2-8,13H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide is sourced from PubChem (CID 116651608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).