1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine

C16H22N4 — CID 111464836

IUPAC1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2c(C)cccc12)NC1CC1
InChIInChI=1S/C16H22N4/c1-11-4-3-5-14-12(10-19-15(11)14)8-9-18-16(17-2)20-13-6-7-13/h3-5,10,13,19H,6-9H2,1-2H3,(H2,17,18,20)
InChIKeyKLHBUXBTFBTVKP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine

1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111464836) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111464836
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2c(C)cccc12)NC1CC1
InChIInChI=1S/C16H22N4/c1-11-4-3-5-14-12(10-19-15(11)14)8-9-18-16(17-2)20-13-6-7-13/h3-5,10,13,19H,6-9H2,1-2H3,(H2,17,18,20)
InChIKeyKLHBUXBTFBTVKP-UHFFFAOYSA-N
XLogP2.35
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111780766
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834479
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109396739
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111785682
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111781162
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111787128
N'-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444138
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111782543
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111783800
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111781702
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111464836) is 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine is C/N=C(/NCCc1c[nH]c2c(C)cccc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is KLHBUXBTFBTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-4-3-5-14-12(10-19-15(11)14)8-9-18-16(17-2)20-13-6-7-13/h3-5,10,13,19H,6-9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine?
1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 270.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111464836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).