trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide

C12H22N2O — CID 99785803

IUPACtrans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyGWRPHVZPFJVKQR-MWLCHTKSSA-N
MW210.32 g/mol
LogP1.20
Rot. Bonds5

About trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 99785803) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID99785803
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nametrans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyGWRPHVZPFJVKQR-MWLCHTKSSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 99785803) is trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1.
What is the InChIKey of trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is GWRPHVZPFJVKQR-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 99785803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).