N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide

C12H20N4O — CID 107970866

IUPACN-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CCN)C2CCCC2)c1
InChIInChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(7-6-13)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3
InChIKeyKAJJBDQZHCBORL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide

N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide (PubChem CID 107970866) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
PubChem CID107970866
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CCN)C2CCCC2)c1
InChIInChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(7-6-13)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3
InChIKeyKAJJBDQZHCBORL-UHFFFAOYSA-N
XLogP0.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
CID 107973411
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-(2-aminoethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103115823
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
N-(2-aminoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-carboxamide
CID 107975606
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
CID 107970828
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
CID 63766956

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide (CID 107970866) is N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(CCN)C2CCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The InChIKey is KAJJBDQZHCBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(7-6-13)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107970866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).