2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine

C20H28N4 — CID 111069810

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28N4/c1-2-24-13-5-8-19(24)15-23-20(21)22-12-11-16-9-10-17-6-3-4-7-18(17)14-16/h3-4,6-7,9-10,14,19H,2,5,8,11-13,15H2,1H3,(H3,21,22,23)
InChIKeyGJSCEEBLPNDPEJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.77
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine (PubChem CID 111069810) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine
PubChem CID111069810
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28N4/c1-2-24-13-5-8-19(24)15-23-20(21)22-12-11-16-9-10-17-6-3-4-7-18(17)14-16/h3-4,6-7,9-10,14,19H,2,5,8,11-13,15H2,1H3,(H3,21,22,23)
InChIKeyGJSCEEBLPNDPEJ-UHFFFAOYSA-N
XLogP2.77
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.77
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

Beta-naphazoline
CID 610682
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
2-(1-naphthalen-2-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262914
5-[(6-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 10609307
5-[(7-methyl-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 10727964
2-(Naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole Hydrochloride (beta-Naphazoline Hydrochloride)
CID 11957635
(5S)-6'-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
CID 9905000
Spiro[4H-imidazole-4,2'(1'H)-naphthalene], 1,3',4',5-tetrahydro-7'-methyl-
CID 10198108
2-[(1-methylnaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 13491497
(5R)-5-butyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
CID 16197237
(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
CID 16745910
[(5S)-1-[2-(1-naphthyl)ethyl]-5-sec-butyl-2-imidazolin-2-yl]amine
CID 23640878

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine (CID 111069810) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine is CCN1CCCC1C/N=C(\N)NCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine?
The InChIKey is GJSCEEBLPNDPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-24-13-5-8-19(24)15-23-20(21)22-12-11-16-9-10-17-6-3-4-7-18(17)14-16/h3-4,6-7,9-10,14,19H,2,5,8,11-13,15H2,1H3,(H3,21,22,23).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine has a molecular weight of 324.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111069810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).