2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide

C14H24N4O — CID 55048665

IUPAC2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccnc1CNC1CC1
InChIInChI=1S/C14H24N4O/c1-3-4-11(2)17-14(19)10-18-8-7-15-13(18)9-16-12-5-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,17,19)
InChIKeyFPDBZRFANTXLLY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 55048665) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID55048665
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccnc1CNC1CC1
InChIInChI=1S/C14H24N4O/c1-3-4-11(2)17-14(19)10-18-8-7-15-13(18)9-16-12-5-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,17,19)
InChIKeyFPDBZRFANTXLLY-UHFFFAOYSA-N
XLogP1.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 62223411
N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62221282
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
CID 62223579
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
CID 83049344
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62222704
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide (CID 55048665) is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccnc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is FPDBZRFANTXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-4-11(2)17-14(19)10-18-8-7-15-13(18)9-16-12-5-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide?
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 55048665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).