N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide

C14H21N5 — CID 145413340

IUPACN-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1C(C)CC(c2ccccc2)C1C
InChIInChI=1S/C14H21N5/c1-9-8-12(11-6-4-3-5-7-11)10(2)19(9)14(17)18-13(15)16/h3-7,9-10,12H,8H2,1-2H3,(H5,15,16,17,18)
InChIKeyYYIKXRJUBUHJLS-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.46
Rot. Bonds1

About N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 145413340) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID145413340
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1C(C)CC(c2ccccc2)C1C
InChIInChI=1S/C14H21N5/c1-9-8-12(11-6-4-3-5-7-11)10(2)19(9)14(17)18-13(15)16/h3-7,9-10,12H,8H2,1-2H3,(H5,15,16,17,18)
InChIKeyYYIKXRJUBUHJLS-UHFFFAOYSA-N
XLogP1.46
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 71874021
1-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 124735066
(5-chloropyrimidin-4-yl)-[(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]methanone
CID 97236274
N-(diaminomethylidene)-2,3-dimethylpyrrolidine-1-carboximidamide
CID 130993955
4-[(2,5-dimethyl-3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021925
1-[(2S,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 96509134
N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide
CID 124778191
1-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 124743823
2-N-(diaminomethylidene)-1,3-dihydroisoindole-1,2-dicarboximidamide
CID 141469430
3-(4-tert-butylphenyl)-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 145413346
2-phenylcyclopropane-1-carbothioamide
CID 86086576
2-phenylcyclobutane-1-carboxamide
CID 132565333

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide (CID 145413340) is N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1C(C)CC(c2ccccc2)C1C.
What is the InChIKey of N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is YYIKXRJUBUHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-8-12(11-6-4-3-5-7-11)10(2)19(9)14(17)18-13(15)16/h3-7,9-10,12H,8H2,1-2H3,(H5,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 259.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,5-dimethyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 145413340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).