1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide

C24H35IN4 — CID 111997540

IUPAC1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc2ccccc2c1)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C24H34N4.HI/c1-25-24(26-18-19-11-12-20-7-5-6-8-21(20)17-19)27-22-13-15-28(16-14-22)23-9-3-2-4-10-23;/h5-8,11-12,17,22-23H,2-4,9-10,13-16,18H2,1H3,(H2,25,26,27);1H
InChIKeyBRSKMKPWDVVCTQ-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.92
Rot. Bonds4

About 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide

1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111997540) has the molecular formula C24H35IN4 and a molecular weight of 506.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
PubChem CID111997540
Molecular FormulaC24H35IN4
Molecular Weight506.48 g/mol
Exact Mass506.19
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc2ccccc2c1)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C24H34N4.HI/c1-25-24(26-18-19-11-12-20-7-5-6-8-21(20)17-19)27-22-13-15-28(16-14-22)23-9-3-2-4-10-23;/h5-8,11-12,17,22-23H,2-4,9-10,13-16,18H2,1H3,(H2,25,26,27);1H
InChIKeyBRSKMKPWDVVCTQ-UHFFFAOYSA-N
XLogP4.92
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111978527
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 111992064
1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 110990646
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111918610
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918611
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111994782
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111918682
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110918471
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111919625
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide (CID 111997540) is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccc2ccccc2c1)NC1CCN(C2CCCCC2)CC1.I.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is BRSKMKPWDVVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4.HI/c1-25-24(26-18-19-11-12-20-7-5-6-8-21(20)17-19)27-22-13-15-28(16-14-22)23-9-3-2-4-10-23;/h5-8,11-12,17,22-23H,2-4,9-10,13-16,18H2,1H3,(H2,25,26,27);1H.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 506.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111997540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).