cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide

C13H18N2O — CID 3033807

IUPACcis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN
InChIInChI=1S/C13H18N2O/c1-15(2)12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13+/m1/s1
InChIKeyLMRXDYSTKNCUDM-YPMHNXCESA-N
MW218.30 g/mol
LogP0.99
Rot. Bonds3

About cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 3033807) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID3033807
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN
InChIInChI=1S/C13H18N2O/c1-15(2)12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13+/m1/s1
InChIKeyLMRXDYSTKNCUDM-YPMHNXCESA-N
XLogP0.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide (CID 3033807) is cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide is CN(C)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is LMRXDYSTKNCUDM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(2)12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3033807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).