2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide

C12H20N4O — CID 66135433

IUPAC2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
SMILESCCn1cncc1CC(CN)C(=O)NC1CC1
InChIInChI=1S/C12H20N4O/c1-2-16-8-14-7-11(16)5-9(6-13)12(17)15-10-3-4-10/h7-10H,2-6,13H2,1H3,(H,15,17)
InChIKeyKRECDHDFGDVJDV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.30
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide

2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide (PubChem CID 66135433) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
PubChem CID66135433
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
SMILESCCn1cncc1CC(CN)C(=O)NC1CC1
InChIInChI=1S/C12H20N4O/c1-2-16-8-14-7-11(16)5-9(6-13)12(17)15-10-3-4-10/h7-10H,2-6,13H2,1H3,(H,15,17)
InChIKeyKRECDHDFGDVJDV-UHFFFAOYSA-N
XLogP0.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
CID 66163689
methyl 2-(aminomethyl)-3-(3-propylimidazol-4-yl)propanoate
CID 66130533
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
CID 166614544
1-(3-ethylimidazol-4-yl)butan-2-amine
CID 66132539
methyl 2-(aminomethyl)-3-(3-methylimidazol-4-yl)propanoate
CID 66117010
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
CID 66154910
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 66151866
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
N-[(3-ethylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66118433
2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
CID 63667369
N-cyclopropyl-2-ethylbutanamide
CID 5151098

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide (CID 66135433) is 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide is CCn1cncc1CC(CN)C(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide?
The InChIKey is KRECDHDFGDVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-8-14-7-11(16)5-9(6-13)12(17)15-10-3-4-10/h7-10H,2-6,13H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide?
2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide is sourced from PubChem (CID 66135433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).