N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide

C9H20N4 — CID 104885911

IUPACN-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC1(C)C
InChIInChI=1S/C9H20N4/c1-4-11-8(12-10)13-7-5-6-9(13,2)3/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyVUPAPUUDJXARDQ-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.70
Rot. Bonds1

About N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide

N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide (PubChem CID 104885911) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide
PubChem CID104885911
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC1(C)C
InChIInChI=1S/C9H20N4/c1-4-11-8(12-10)13-7-5-6-9(13,2)3/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyVUPAPUUDJXARDQ-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide
CID 104885913
N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
CID 104883153
N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 104883423
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
1-amino-2-ethyl-3-(1-methylcyclobutyl)guanidine
CID 104888481
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
CID 79804327
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide (CID 104885911) is N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide is CC/N=C(\NN)N1CCCC1(C)C.
What is the InChIKey of N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is VUPAPUUDJXARDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-4-11-8(12-10)13-7-5-6-9(13,2)3/h4-7,10H2,1-3H3,(H,11,12).
What are the key properties of N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide?
N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104885911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).