1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine

C14H19ClN4 — CID 122081906

IUPAC1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN4/c1-16-14(17-2)18-7-6-10-9-19(3)13-8-11(15)4-5-12(10)13/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18)
InChIKeyIXEKFJYFBRSIHX-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine

1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine (PubChem CID 122081906) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine
PubChem CID122081906
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN4/c1-16-14(17-2)18-7-6-10-9-19(3)13-8-11(15)4-5-12(10)13/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18)
InChIKeyIXEKFJYFBRSIHX-UHFFFAOYSA-N
XLogP2.17
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
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

N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82501552
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 137362815
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110914009
2-(6-chloro-1-methylindol-3-yl)acetonitrile
CID 75355671
1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123542
1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 111573047
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628
6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole
CID 58242497
O-[(6-chloro-1-methylindol-3-yl)methyl]hydroxylamine
CID 117196287
1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine
CID 110914261
1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110893037

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine (CID 122081906) is 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine is C/N=C(\NC)NCCc1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine?
The InChIKey is IXEKFJYFBRSIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-16-14(17-2)18-7-6-10-9-19(3)13-8-11(15)4-5-12(10)13/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine?
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine has a molecular weight of 278.79 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 122081906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).