2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C10H18N4 — CID 68550195

IUPAC2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1ncc(CCNCC2CCCN2)[nH]1
InChIInChI=1S/C10H18N4/c1-2-9(13-4-1)6-11-5-3-10-7-12-8-14-10/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyTXUPJNVZAJPFII-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.29
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 68550195) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID68550195
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1ncc(CCNCC2CCCN2)[nH]1
InChIInChI=1S/C10H18N4/c1-2-9(13-4-1)6-11-5-3-10-7-12-8-14-10/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyTXUPJNVZAJPFII-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

N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639435
2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634461
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 65230922
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 68550195) is 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is c1ncc(CCNCC2CCCN2)[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is TXUPJNVZAJPFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-9(13-4-1)6-11-5-3-10-7-12-8-14-10/h7-9,11,13H,1-6H2,(H,12,14).
What are the key properties of 2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(1H-imidazol-5-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-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 68550195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).