2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine

C17H22N4 — CID 119148946

IUPAC2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine
SMILESC#CCN/C(=N\C)NCc1cc(C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C17H22N4/c1-6-7-19-17(18-5)20-10-14-8-11(2)9-15-12(3)13(4)21-16(14)15/h1,8-9,21H,7,10H2,2-5H3,(H2,18,19,20)
InChIKeyCWHPXCYFRKIESQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine

2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine (PubChem CID 119148946) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine
PubChem CID119148946
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine
SMILESC#CCN/C(=N\C)NCc1cc(C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C17H22N4/c1-6-7-19-17(18-5)20-10-14-8-11(2)9-15-12(3)13(4)21-16(14)15/h1,8-9,21H,7,10H2,2-5H3,(H2,18,19,20)
InChIKeyCWHPXCYFRKIESQ-UHFFFAOYSA-N
XLogP2.39
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149131
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56878946
(2R)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95161921
N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 71936903
2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 56875403
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propanamide
CID 98474413
2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
CID 47080290
2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
CID 111849920
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111846654
1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide
CID 56861583
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120928380
1-ethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzotriazole-5-carboxamide
CID 51126213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine (CID 119148946) is 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine is C#CCN/C(=N\C)NCc1cc(C)cc2c(C)c(C)[nH]c12.
What is the InChIKey of 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine?
The InChIKey is CWHPXCYFRKIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-6-7-19-17(18-5)20-10-14-8-11(2)9-15-12(3)13(4)21-16(14)15/h1,8-9,21H,7,10H2,2-5H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine?
2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine has a molecular weight of 282.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine is sourced from PubChem (CID 119148946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).