2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide

C11H18N4O — CID 64852236

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCC1N
InChIInChI=1S/C11H18N4O/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyOEUQNUOARSGMBB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds3

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 64852236) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID64852236
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCC1N
InChIInChI=1S/C11H18N4O/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyOEUQNUOARSGMBB-UHFFFAOYSA-N
XLogP0.50
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 155505877
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide (CID 64852236) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is OEUQNUOARSGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 64852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).