2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine

C11H20N4 — CID 106634461

IUPAC2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CCNCC2CCCCN2)n1
InChIInChI=1S/C11H20N4/c1-2-5-13-10(3-1)9-12-6-4-11-14-7-8-15-11/h7-8,10,12-13H,1-6,9H2,(H,14,15)
InChIKeyOPQLJYVZBVAGMK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.68
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine

2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106634461) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106634461
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CCNCC2CCCCN2)n1
InChIInChI=1S/C11H20N4/c1-2-5-13-10(3-1)9-12-6-4-11-14-7-8-15-11/h7-8,10,12-13H,1-6,9H2,(H,14,15)
InChIKeyOPQLJYVZBVAGMK-UHFFFAOYSA-N
XLogP0.68
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639435
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 68550195
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106634461) is 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine is c1c[nH]c(CCNCC2CCCCN2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is OPQLJYVZBVAGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-5-13-10(3-1)9-12-6-4-11-14-7-8-15-11/h7-8,10,12-13H,1-6,9H2,(H,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine?
2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106634461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).