2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C11H21N5 — CID 115682785

IUPAC2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC1CCCN1CCNCc1cnnn1C
InChIInChI=1S/C11H21N5/c1-10-4-3-6-16(10)7-5-12-8-11-9-13-14-15(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyCPXQNYKGYPZEOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds5

About 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115682785) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115682785
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCC1CCCN1CCNCc1cnnn1C
InChIInChI=1S/C11H21N5/c1-10-4-3-6-16(10)7-5-12-8-11-9-13-14-15(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyCPXQNYKGYPZEOY-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
1-[[1-[3-[4-(1,5,9-Triazacyclododec-1-ylmethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]-1,5,9-triazacyclododecane
CID 57393419
2-(1-methyl-1H-1,2,3-triazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 126985096
4-(5-methyl-1H-1,2,3-triazol-1-yl)piperidine dihydrochloride
CID 154856451
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
4-(5-methyl-1H-1,2,3-triazol-1-yl)piperidine
CID 18419684
4,6,7,8,8a,9-Hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
CID 129860044
(9S)-1,5,6,7-tetrazatricyclo[7.3.0.03,7]dodeca-3,5-diene
CID 134838189
4-ethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
CID 134856334
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55073710

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115682785) is 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is CC1CCCN1CCNCc1cnnn1C.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is CPXQNYKGYPZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10-4-3-6-16(10)7-5-12-8-11-9-13-14-15(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115682785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).