N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide

C14H30N4 — CID 111833709

IUPACN-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
SMILESCCCN(CC)CC/N=C(\NCC)N1CCCC1
InChIInChI=1S/C14H30N4/c1-4-10-17(6-3)13-9-16-14(15-5-2)18-11-7-8-12-18/h4-13H2,1-3H3,(H,15,16)
InChIKeyLBQIRJGATPKUJV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.78
Rot. Bonds7

About N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111833709) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
PubChem CID111833709
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
SMILESCCCN(CC)CC/N=C(\NCC)N1CCCC1
InChIInChI=1S/C14H30N4/c1-4-10-17(6-3)13-9-16-14(15-5-2)18-11-7-8-12-18/h4-13H2,1-3H3,(H,15,16)
InChIKeyLBQIRJGATPKUJV-UHFFFAOYSA-N
XLogP1.78
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.78
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

4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955978
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956268
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730
tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
CID 110956280
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
CID 111790182
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide (CID 111833709) is N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide is CCCN(CC)CC/N=C(\NCC)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is LBQIRJGATPKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-10-17(6-3)13-9-16-14(15-5-2)18-11-7-8-12-18/h4-13H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 254.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111833709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).