N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide

C15H32N4 — CID 110955978

IUPACN'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)N1CCCC1
InChIInChI=1S/C15H32N4/c1-6-16-15(18-10-7-8-11-18)17-9-12-19(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3,(H,16,17)
InChIKeyWGBDADINFNIQNO-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.17
Rot. Bonds6

About N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110955978) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110955978
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)N1CCCC1
InChIInChI=1S/C15H32N4/c1-6-16-15(18-10-7-8-11-18)17-9-12-19(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3,(H,16,17)
InChIKeyWGBDADINFNIQNO-UHFFFAOYSA-N
XLogP2.17
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.17
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-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
CID 111790182
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956268
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211328
tert-butyl N-[4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butan-2-yl]-N-methylcarbamate
CID 111826130
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]pyrrolidine-1-carboximidamide
CID 111546529

Frequently Asked Questions

What is the IUPAC name of N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110955978) is N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCN(C(C)C)C(C)C)N1CCCC1.
What is the InChIKey of N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is WGBDADINFNIQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-6-16-15(18-10-7-8-11-18)17-9-12-19(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3,(H,16,17).
What are the key properties of N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 268.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).