1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide

C17H24N4 — CID 140994898

IUPAC1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(CC[C@@H]3CCCN3)n(CC)c2c1
InChIInChI=1S/C17H24N4/c1-2-21-15(8-7-14-4-3-9-20-14)10-12-5-6-13(17(18)19)11-16(12)21/h5-6,10-11,14,20H,2-4,7-9H2,1H3,(H3,18,19)/t14-/m0/s1
InChIKeyYOXLQGZHZFADBR-AWEZNQCLSA-N
MW284.41 g/mol
LogP2.63
Rot. Bonds5

About 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide

1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide (PubChem CID 140994898) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide.

Molecular Properties

Compound Name1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide
PubChem CID140994898
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(CC[C@@H]3CCCN3)n(CC)c2c1
InChIInChI=1S/C17H24N4/c1-2-21-15(8-7-14-4-3-9-20-14)10-12-5-6-13(17(18)19)11-16(12)21/h5-6,10-11,14,20H,2-4,7-9H2,1H3,(H3,18,19)/t14-/m0/s1
InChIKeyYOXLQGZHZFADBR-AWEZNQCLSA-N
XLogP2.63
TPSA66.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(3S)-6-cyclopentyl-3-ethyl-4-imino-5-oxohexyl]-1-ethylindole-6-carboximidamide
CID 174335282
2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carboximidamide
CID 21251575
1-ethyl-2-[2-[(2S)-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]ethyl]indole-6-carboximidamide
CID 70106935
2-[2-[1-[1-(4-aminobutanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carboximidamide
CID 21251201
2-[2-[(2S)-1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carboximidamide
CID 54280194
ethyl 4-[(2S)-2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-1-yl]-3-(cyclopropylamino)-4-oxobutanoate
CID 20640465
ethyl 2-[(2R)-2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]azetidine-1-carbonyl]pyrrolidin-1-yl]acetate
CID 70108120
ethyl 3-amino-4-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoate
CID 21251235
2-[(2R)-2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid
CID 70110031
ethyl 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-1-yl]acetate
CID 21251388
ethyl 2-[2-[1-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-2-carbonyl]piperidin-1-yl]acetate
CID 21251376
3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]propanoic acid;dihydrochloride
CID 70075776

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide?
The IUPAC name of 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide (CID 140994898) is 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide.
What is the SMILES notation for 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide?
The canonical SMILES for 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide is [H]/N=C(\N)c1ccc2cc(CC[C@@H]3CCCN3)n(CC)c2c1.
What is the InChIKey of 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide?
The InChIKey is YOXLQGZHZFADBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-21-15(8-7-14-4-3-9-20-14)10-12-5-6-13(17(18)19)11-16(12)21/h5-6,10-11,14,20H,2-4,7-9H2,1H3,(H3,18,19)/t14-/m0/s1.
What are the key properties of 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide?
1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide has a molecular weight of 284.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(2S)-pyrrolidin-2-yl]ethyl]indole-6-carboximidamide is sourced from PubChem (CID 140994898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).