N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide

C8H14N4O — CID 107973269

IUPACN-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(CN)NC(=O)c1cn(C)cn1
InChIInChI=1S/C8H14N4O/c1-6(3-9)11-8(13)7-4-12(2)5-10-7/h4-6H,3,9H2,1-2H3,(H,11,13)
InChIKeyZYGOFJXCZIFOOM-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.50
Rot. Bonds3

About N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide

N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide (PubChem CID 107973269) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
PubChem CID107973269
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(CN)NC(=O)c1cn(C)cn1
InChIInChI=1S/C8H14N4O/c1-6(3-9)11-8(13)7-4-12(2)5-10-7/h4-6H,3,9H2,1-2H3,(H,11,13)
InChIKeyZYGOFJXCZIFOOM-UHFFFAOYSA-N
XLogP-0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107974224
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide
CID 106180129
N-(2-amino-1-cyclopropylethyl)-1-methylimidazole-4-carboxamide
CID 107973326
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
N-[1-(4-bromophenyl)ethyl]-1-methylimidazole-4-carboxamide
CID 113340016
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide (CID 107973269) is N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide is CC(CN)NC(=O)c1cn(C)cn1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide?
The InChIKey is ZYGOFJXCZIFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(3-9)11-8(13)7-4-12(2)5-10-7/h4-6H,3,9H2,1-2H3,(H,11,13).
What are the key properties of N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide?
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107973269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).