N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide

C15H23N3 — CID 63181616

IUPACN'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)CN1CCCC1
InChIInChI=1S/C15H23N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyQQWXIXNBLYWYIW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.12
Rot. Bonds5

About N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide

N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide (PubChem CID 63181616) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
PubChem CID63181616
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)CN1CCCC1
InChIInChI=1S/C15H23N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyQQWXIXNBLYWYIW-UHFFFAOYSA-N
XLogP2.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
CID 55160168
1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 83035522
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070254
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-(3,4-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111074659
1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111074647
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
N'-(2,3,3-trimethylbutyl)benzenecarboximidamide
CID 79822282
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide?
The IUPAC name of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide (CID 63181616) is N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide is CC(C/N=C(\N)c1ccccc1)CN1CCCC1.
What is the InChIKey of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide?
The InChIKey is QQWXIXNBLYWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17).
What are the key properties of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide?
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide is sourced from PubChem (CID 63181616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).