1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine

C20H32N4 — CID 111055419

IUPAC1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine
SMILESCC(C)(C/N=C(\N)NC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H32N4/c1-20(2,15-22-19(21)23-18-10-4-3-5-11-18)24-13-12-16-8-6-7-9-17(16)14-24/h6-9,18H,3-5,10-15H2,1-2H3,(H3,21,22,23)
InChIKeyXUKLADNSVXDPMH-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine

1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine (PubChem CID 111055419) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine
PubChem CID111055419
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine
SMILESCC(C)(C/N=C(\N)NC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H32N4/c1-20(2,15-22-19(21)23-18-10-4-3-5-11-18)24-13-12-16-8-6-7-9-17(16)14-24/h6-9,18H,3-5,10-15H2,1-2H3,(H3,21,22,23)
InChIKeyXUKLADNSVXDPMH-UHFFFAOYSA-N
XLogP3.06
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.06
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

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111055439
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 110892559
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111943991
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111745729
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119850054
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191666
1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607844

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine (CID 111055419) is 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine is CC(C)(C/N=C(\N)NC1CCCCC1)N1CCc2ccccc2C1.
What is the InChIKey of 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine?
The InChIKey is XUKLADNSVXDPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-20(2,15-22-19(21)23-18-10-4-3-5-11-18)24-13-12-16-8-6-7-9-17(16)14-24/h6-9,18H,3-5,10-15H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine?
1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine has a molecular weight of 328.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]guanidine is sourced from PubChem (CID 111055419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).