cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine

C11H16N2O — CID 15980554

IUPACcis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine
SMILESCN[C@]1(COc2cccnc2)C[C@@H]1C
InChIInChI=1S/C11H16N2O/c1-9-6-11(9,12-2)8-14-10-4-3-5-13-7-10/h3-5,7,9,12H,6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyLHKYZKTYVIGQCE-ONGXEEELSA-N
MW192.26 g/mol
LogP1.46
Rot. Bonds4

About cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine

cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine (PubChem CID 15980554) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine
PubChem CID15980554
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namecis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine
SMILESCN[C@]1(COc2cccnc2)C[C@@H]1C
InChIInChI=1S/C11H16N2O/c1-9-6-11(9,12-2)8-14-10-4-3-5-13-7-10/h3-5,7,9,12H,6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyLHKYZKTYVIGQCE-ONGXEEELSA-N
XLogP1.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine 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 cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine (CID 15980554) is cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine is CN[C@]1(COc2cccnc2)C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine?
The InChIKey is LHKYZKTYVIGQCE-ONGXEEELSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-6-11(9,12-2)8-14-10-4-3-5-13-7-10/h3-5,7,9,12H,6,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine?
cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine is sourced from PubChem (CID 15980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).