2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide

C12H20N4O — CID 82768436

IUPAC2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C12H20N4O/c1-12(5-3-4-9(12)13)11(17)15-8-10-14-6-7-16(10)2/h6-7,9H,3-5,8,13H2,1-2H3,(H,15,17)
InChIKeyBDPPKKIZRFPXCN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide

2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 82768436) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID82768436
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C12H20N4O/c1-12(5-3-4-9(12)13)11(17)15-8-10-14-6-7-16(10)2/h6-7,9H,3-5,8,13H2,1-2H3,(H,15,17)
InChIKeyBDPPKKIZRFPXCN-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 114700240
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 80593971
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide (CID 82768436) is 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide is Cn1ccnc1CNC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BDPPKKIZRFPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(5-3-4-9(12)13)11(17)15-8-10-14-6-7-16(10)2/h6-7,9H,3-5,8,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide?
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82768436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).