1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

C19H29N5 — CID 110996781

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESCCN(CCN/C(=N\C)NCCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C19H29N5/c1-3-24(16-8-9-16)13-12-22-19(20-2)21-11-10-15-14-23-18-7-5-4-6-17(15)18/h4-7,14,16,23H,3,8-13H2,1-2H3,(H2,20,21,22)
InChIKeyHWVNVHNTWHVLMH-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.36
Rot. Bonds8

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (PubChem CID 110996781) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
PubChem CID110996781
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESCCN(CCN/C(=N\C)NCCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C19H29N5/c1-3-24(16-8-9-16)13-12-22-19(20-2)21-11-10-15-14-23-18-7-5-4-6-17(15)18/h4-7,14,16,23H,3,8-13H2,1-2H3,(H2,20,21,22)
InChIKeyHWVNVHNTWHVLMH-UHFFFAOYSA-N
XLogP2.36
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
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

1-[2-(diethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996298
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134879
1-(3-cyclopentyloxypropyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996137
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111968196
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110997297
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
1-(2-bromoprop-2-enyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119116749

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (CID 110996781) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is CCN(CCN/C(=N\C)NCCc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The InChIKey is HWVNVHNTWHVLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-3-24(16-8-9-16)13-12-22-19(20-2)21-11-10-15-14-23-18-7-5-4-6-17(15)18/h4-7,14,16,23H,3,8-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine has a molecular weight of 327.48 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110996781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).