N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H20N4 — CID 62743808

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ncc(CNCCN2CCCC2)[nH]1
InChIInChI=1S/C11H20N4/c1-10-13-9-11(14-10)8-12-4-7-15-5-2-3-6-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyCPPFVQZOQPFPOK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds5

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 62743808) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID62743808
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ncc(CNCCN2CCCC2)[nH]1
InChIInChI=1S/C11H20N4/c1-10-13-9-11(14-10)8-12-4-7-15-5-2-3-6-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyCPPFVQZOQPFPOK-UHFFFAOYSA-N
XLogP0.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
CID 103859234
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
5-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazol-2-amine
CID 106565075

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 62743808) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ncc(CNCCN2CCCC2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is CPPFVQZOQPFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10-13-9-11(14-10)8-12-4-7-15-5-2-3-6-15/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 62743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).