2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide

C14H21N3 — CID 107930509

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC1(C)C
InChIInChI=1S/C14H21N3/c1-10-5-6-12(11(9-10)13(15)16)17-8-4-7-14(17,2)3/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyJZMBCZLZUHVUMH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.66
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide

2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide (PubChem CID 107930509) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
PubChem CID107930509
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC1(C)C
InChIInChI=1S/C14H21N3/c1-10-5-6-12(11(9-10)13(15)16)17-8-4-7-14(17,2)3/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyJZMBCZLZUHVUMH-UHFFFAOYSA-N
XLogP2.66
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide
CID 63219551
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929923
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
CID 62937438
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-methylbenzenecarboximidamide
CID 107930441
5-chloro-2-(3,3-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493925
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide (CID 107930509) is 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide?
The InChIKey is JZMBCZLZUHVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-5-6-12(11(9-10)13(15)16)17-8-4-7-14(17,2)3/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide?
2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).