N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide

C13H20N4O — CID 55098061

IUPACN-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
SMILESO=C(CCn1ccnc1CNC1CC1)NC1CC1
InChIInChI=1S/C13H20N4O/c18-13(16-11-3-4-11)5-7-17-8-6-14-12(17)9-15-10-1-2-10/h6,8,10-11,15H,1-5,7,9H2,(H,16,18)
InChIKeyXFLJKLAEWFCDAI-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.80
Rot. Bonds7

About N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide

N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide (PubChem CID 55098061) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
PubChem CID55098061
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
SMILESO=C(CCn1ccnc1CNC1CC1)NC1CC1
InChIInChI=1S/C13H20N4O/c18-13(16-11-3-4-11)5-7-17-8-6-14-12(17)9-15-10-1-2-10/h6,8,10-11,15H,1-5,7,9H2,(H,16,18)
InChIKeyXFLJKLAEWFCDAI-UHFFFAOYSA-N
XLogP0.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
CID 62223579
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
3-[2-(4-aminophenyl)imidazol-1-yl]-N-cyclopropylpropanamide
CID 62625785
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
CID 55048665
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 62223411
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide (CID 55098061) is N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide is O=C(CCn1ccnc1CNC1CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide?
The InChIKey is XFLJKLAEWFCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(16-11-3-4-11)5-7-17-8-6-14-12(17)9-15-10-1-2-10/h6,8,10-11,15H,1-5,7,9H2,(H,16,18).
What are the key properties of N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide?
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide is sourced from PubChem (CID 55098061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).