2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine

C14H20N4 — CID 111087914

IUPAC2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1cc2ccccc2[nH]1)N(C)C
InChIInChI=1S/C14H20N4/c1-17(2)14(18(3)4)15-10-12-9-11-7-5-6-8-13(11)16-12/h5-9,16H,10H2,1-4H3
InChIKeyDWKBFLAVKCSYFP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds2

About 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine

2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine (PubChem CID 111087914) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
PubChem CID111087914
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1cc2ccccc2[nH]1)N(C)C
InChIInChI=1S/C14H20N4/c1-17(2)14(18(3)4)15-10-12-9-11-7-5-6-8-13(11)16-12/h5-9,16H,10H2,1-4H3
InChIKeyDWKBFLAVKCSYFP-UHFFFAOYSA-N
XLogP2.15
TPSA34.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365316
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955580
1-(2,6-diethylphenyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087898
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111087874
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948477
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine (CID 111087914) is 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine is CN(C)C(=NCc1cc2ccccc2[nH]1)N(C)C.
What is the InChIKey of 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is DWKBFLAVKCSYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(2)14(18(3)4)15-10-12-9-11-7-5-6-8-13(11)16-12/h5-9,16H,10H2,1-4H3.
What are the key properties of 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine?
2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 244.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111087914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).