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

C17H26N4 — CID 111781710

IUPAC2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2c(C)cccc12)NCC(C)C
InChIInChI=1S/C17H26N4/c1-12(2)10-21-17(18-4)19-9-8-14-11-20-16-13(3)6-5-7-15(14)16/h5-7,11-12,20H,8-10H2,1-4H3,(H2,18,19,21)
InChIKeyQSZGMFCRJDLSBE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.84
Rot. Bonds5

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

2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine (PubChem CID 111781710) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
PubChem CID111781710
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2c(C)cccc12)NCC(C)C
InChIInChI=1S/C17H26N4/c1-12(2)10-21-17(18-4)19-9-8-14-11-20-16-13(3)6-5-7-15(14)16/h5-7,11-12,20H,8-10H2,1-4H3,(H2,18,19,21)
InChIKeyQSZGMFCRJDLSBE-UHFFFAOYSA-N
XLogP2.84
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.84
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

1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111787128
1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111464836
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111785682
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111781702
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111782543
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111780766
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111781162
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111783800
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111780150
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 109407361
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine (CID 111781710) is 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine is C/N=C(/NCCc1c[nH]c2c(C)cccc12)NCC(C)C.
What is the InChIKey of 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine?
The InChIKey is QSZGMFCRJDLSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)10-21-17(18-4)19-9-8-14-11-20-16-13(3)6-5-7-15(14)16/h5-7,11-12,20H,8-10H2,1-4H3,(H2,18,19,21).
What are the key properties of 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine?
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine has a molecular weight of 286.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111781710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).