2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide

C10H19N5O — CID 114995053

IUPAC2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(C)[nH]c1N
InChIInChI=1S/C10H19N5O/c1-4-5-15(6-8(16)12-3)10-9(11)13-7(2)14-10/h4-6,11H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyCDOJEKKTUQTFMK-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.26
Rot. Bonds5

About 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide

2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide (PubChem CID 114995053) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
PubChem CID114995053
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(C)[nH]c1N
InChIInChI=1S/C10H19N5O/c1-4-5-15(6-8(16)12-3)10-9(11)13-7(2)14-10/h4-6,11H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyCDOJEKKTUQTFMK-UHFFFAOYSA-N
XLogP0.26
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide (CID 114995053) is 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(C)[nH]c1N.
What is the InChIKey of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide?
The InChIKey is CDOJEKKTUQTFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-5-15(6-8(16)12-3)10-9(11)13-7(2)14-10/h4-6,11H2,1-3H3,(H,12,16)(H,13,14).
What are the key properties of 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide?
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide has a molecular weight of 225.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 114995053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).