1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide

C10H16N4O — CID 80588119

IUPAC1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C10H16N4O/c11-7-10(1-2-10)9(15)13-4-6-14-5-3-12-8-14/h3,5,8H,1-2,4,6-7,11H2,(H,13,15)
InChIKeyQZTMLEJUPMGLEU-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.26
Rot. Bonds5

About 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 80588119) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID80588119
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C10H16N4O/c11-7-10(1-2-10)9(15)13-4-6-14-5-3-12-8-14/h3,5,8H,1-2,4,6-7,11H2,(H,13,15)
InChIKeyQZTMLEJUPMGLEU-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589798
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
2-imidazol-1-ylethylurea
CID 61061185
1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
CID 106390951
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide (CID 80588119) is 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCCn2ccnc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is QZTMLEJUPMGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-7-10(1-2-10)9(15)13-4-6-14-5-3-12-8-14/h3,5,8H,1-2,4,6-7,11H2,(H,13,15).
What are the key properties of 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).