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

C10H18N4 — CID 106639435

IUPAC2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CCNCC2CCCN2)n1
InChIInChI=1S/C10H18N4/c1-2-9(12-4-1)8-11-5-3-10-13-6-7-14-10/h6-7,9,11-12H,1-5,8H2,(H,13,14)
InChIKeyRJVJSDFACUVJMH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.29
Rot. Bonds5

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

2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106639435) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106639435
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1c[nH]c(CCNCC2CCCN2)n1
InChIInChI=1S/C10H18N4/c1-2-9(12-4-1)8-11-5-3-10-13-6-7-14-10/h6-7,9,11-12H,1-5,8H2,(H,13,14)
InChIKeyRJVJSDFACUVJMH-UHFFFAOYSA-N
XLogP0.29
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.29
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-(piperidin-2-ylmethyl)ethanamine
CID 106634461
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
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[2-(1H-imidazol-2-yl)ethyl]formamide
CID 57094248
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106639435) is 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is c1c[nH]c(CCNCC2CCCN2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is RJVJSDFACUVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-9(12-4-1)8-11-5-3-10-13-6-7-14-10/h6-7,9,11-12H,1-5,8H2,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.29, 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-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106639435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).