1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine

C16H22N4 — CID 111087874

IUPAC1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCCC1
InChIInChI=1S/C16H22N4/c17-16(20-13-7-2-1-3-8-13)18-11-14-10-12-6-4-5-9-15(12)19-14/h4-6,9-10,13,19H,1-3,7-8,11H2,(H3,17,18,20)
InChIKeyJCYOIDKHUVRTDJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.90
Rot. Bonds3

About 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine

1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 111087874) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID111087874
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCCC1
InChIInChI=1S/C16H22N4/c17-16(20-13-7-2-1-3-8-13)18-11-14-10-12-6-4-5-9-15(12)19-14/h4-6,9-10,13,19H,1-3,7-8,11H2,(H3,17,18,20)
InChIKeyJCYOIDKHUVRTDJ-UHFFFAOYSA-N
XLogP2.90
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.90
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-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087928
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087924
1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
CID 114181521
1-(2,6-diethylphenyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087898
2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
CID 154541509
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine (CID 111087874) is 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine is N/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is JCYOIDKHUVRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-16(20-13-7-2-1-3-8-13)18-11-14-10-12-6-4-5-9-15(12)19-14/h4-6,9-10,13,19H,1-3,7-8,11H2,(H3,17,18,20).
What are the key properties of 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine?
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 270.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 111087874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).