1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide

C14H18N2O — CID 115037910

IUPAC1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2ccccc2C2(N)CC2)CC1
InChIInChI=1S/C14H18N2O/c1-16-12(17)13(6-7-13)10-4-2-3-5-11(10)14(15)8-9-14/h2-5H,6-9,15H2,1H3,(H,16,17)
InChIKeyXJLOLOBSAWIRIY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide

1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115037910) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115037910
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2ccccc2C2(N)CC2)CC1
InChIInChI=1S/C14H18N2O/c1-16-12(17)13(6-7-13)10-4-2-3-5-11(10)14(15)8-9-14/h2-5H,6-9,15H2,1H3,(H,16,17)
InChIKeyXJLOLOBSAWIRIY-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
CID 115055901
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
CID 115055897
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone
CID 115055887
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
CID 154577525
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
CID 115030861
N'-methyl-1-naphthalen-1-ylcyclopropane-1-carbohydrazide
CID 116847393
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
1-(2-ethoxy-6-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 143330062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide (CID 115037910) is 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2ccccc2C2(N)CC2)CC1.
What is the InChIKey of 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is XJLOLOBSAWIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-12(17)13(6-7-13)10-4-2-3-5-11(10)14(15)8-9-14/h2-5H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide?
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115037910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).