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

C15H20N4 — CID 111087928

IUPAC1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)NCC1CCC1
InChIInChI=1S/C15H20N4/c16-15(17-9-11-4-3-5-11)18-10-13-8-12-6-1-2-7-14(12)19-13/h1-2,6-8,11,19H,3-5,9-10H2,(H3,16,17,18)
InChIKeyPBMUGJTYRYMXSC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.37
Rot. Bonds4

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

1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 111087928) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID111087928
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)NCC1CCC1
InChIInChI=1S/C15H20N4/c16-15(17-9-11-4-3-5-11)18-10-13-8-12-6-1-2-7-14(12)19-13/h1-2,6-8,11,19H,3-5,9-10H2,(H3,16,17,18)
InChIKeyPBMUGJTYRYMXSC-UHFFFAOYSA-N
XLogP2.37
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.37
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-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111087874
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051695
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087924
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-(cyclobutylmethyl)-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054224
1-(2,6-diethylphenyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087898
1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111071586
1-(cyclobutylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111026726
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139660

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine (CID 111087928) is 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine is N/C(=N\Cc1cc2ccccc2[nH]1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is PBMUGJTYRYMXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-15(17-9-11-4-3-5-11)18-10-13-8-12-6-1-2-7-14(12)19-13/h1-2,6-8,11,19H,3-5,9-10H2,(H3,16,17,18).
What are the key properties of 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine?
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 256.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 111087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).