N,N'-dimethylpyrrolidine-2-carboximidamide;ethane

C9H21N3 — CID 144634094

IUPACN,N'-dimethylpyrrolidine-2-carboximidamide;ethane
SMILESC/N=C(\NC)C1CCCN1.CC
InChIInChI=1S/C7H15N3.C2H6/c1-8-7(9-2)6-4-3-5-10-6;1-2/h6,10H,3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyUWASVQXSYJTANR-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.01
Rot. Bonds1

About N,N'-dimethylpyrrolidine-2-carboximidamide;ethane

N,N'-dimethylpyrrolidine-2-carboximidamide;ethane (PubChem CID 144634094) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N,N'-dimethylpyrrolidine-2-carboximidamide;ethane.

Molecular Properties

Compound NameN,N'-dimethylpyrrolidine-2-carboximidamide;ethane
PubChem CID144634094
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN,N'-dimethylpyrrolidine-2-carboximidamide;ethane
SMILESC/N=C(\NC)C1CCCN1.CC
InChIInChI=1S/C7H15N3.C2H6/c1-8-7(9-2)6-4-3-5-10-6;1-2/h6,10H,3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyUWASVQXSYJTANR-UHFFFAOYSA-N
XLogP1.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.01
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

2-Butyl-2-imidazoline
CID 25284
(R)-pyrrolidine-2-carboximidamide
CID 53233132
Pyrrolidine-2-Carboximidamide
CID 53929122
4,5-Dihydro-2-pentyl-1H-imidazole
CID 12782
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2998348
(S)-pyrrolidine-2-carboximidamide
CID 54583301
2-Imidazoline, 2-hexyl-
CID 34370
Imidazole, 4,5-dihydro-2-pentyl-, hydrochloride
CID 3053438
1-Pyrroline, 2-((2-(diethylamino)ethyl)amino)-5-methyl-4-phenyl-4-propyl-
CID 135704106
4-Methyl-2-undecyl-2-imidazoline
CID 348825
1,2-Bis(4-methyl-4,5-dihydro-1h-imidazol-2-yl)ethane
CID 58741763
5-methyl-2-propyl-4,5-dihydro-1H-imidazole
CID 19005749

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylpyrrolidine-2-carboximidamide;ethane?
The IUPAC name of N,N'-dimethylpyrrolidine-2-carboximidamide;ethane (CID 144634094) is N,N'-dimethylpyrrolidine-2-carboximidamide;ethane.
What is the SMILES notation for N,N'-dimethylpyrrolidine-2-carboximidamide;ethane?
The canonical SMILES for N,N'-dimethylpyrrolidine-2-carboximidamide;ethane is C/N=C(\NC)C1CCCN1.CC.
What is the InChIKey of N,N'-dimethylpyrrolidine-2-carboximidamide;ethane?
The InChIKey is UWASVQXSYJTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.C2H6/c1-8-7(9-2)6-4-3-5-10-6;1-2/h6,10H,3-5H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of N,N'-dimethylpyrrolidine-2-carboximidamide;ethane?
N,N'-dimethylpyrrolidine-2-carboximidamide;ethane has a molecular weight of 171.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylpyrrolidine-2-carboximidamide;ethane is sourced from PubChem (CID 144634094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).