N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C13H22N2O — CID 116651597

IUPACN-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)C(CN)C1CC1
InChIInChI=1S/C13H22N2O/c1-15(11(7-14)8-5-6-8)13(16)12-9-3-2-4-10(9)12/h8-12H,2-7,14H2,1H3
InChIKeyGQXVOPWFABFTHR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.23
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 116651597) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID116651597
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)C(CN)C1CC1
InChIInChI=1S/C13H22N2O/c1-15(11(7-14)8-5-6-8)13(16)12-9-3-2-4-10(9)12/h8-12H,2-7,14H2,1H3
InChIKeyGQXVOPWFABFTHR-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 116651597) is N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1C2CCCC21)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GQXVOPWFABFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(11(7-14)8-5-6-8)13(16)12-9-3-2-4-10(9)12/h8-12H,2-7,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 116651597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).