2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine

C18H31N5 — CID 134088933

IUPAC2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
SMILESCC(C)(CN)C/N=C(\NCC1CCCCC1)Nc1cccnc1
InChIInChI=1S/C18H31N5/c1-18(2,13-19)14-22-17(23-16-9-6-10-20-12-16)21-11-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11,13-14,19H2,1-2H3,(H2,21,22,23)
InChIKeySLTSMMOAMIIQAR-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine

2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine (PubChem CID 134088933) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
PubChem CID134088933
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
SMILESCC(C)(CN)C/N=C(\NCC1CCCCC1)Nc1cccnc1
InChIInChI=1S/C18H31N5/c1-18(2,13-19)14-22-17(23-16-9-6-10-20-12-16)21-11-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11,13-14,19H2,1-2H3,(H2,21,22,23)
InChIKeySLTSMMOAMIIQAR-UHFFFAOYSA-N
XLogP3.00
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine 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-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
CID 134111374
N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
CID 134088937
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141
2-cyclopentyl-N-pyridin-3-ylethanethioamide
CID 142471330
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-pyridin-3-ylbenzamide
CID 51162122
2-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111608771
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
CID 116511413
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine?
The IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine (CID 134088933) is 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine is CC(C)(CN)C/N=C(\NCC1CCCCC1)Nc1cccnc1.
What is the InChIKey of 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine?
The InChIKey is SLTSMMOAMIIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-18(2,13-19)14-22-17(23-16-9-6-10-20-12-16)21-11-15-7-4-3-5-8-15/h6,9-10,12,15H,3-5,7-8,11,13-14,19H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine?
2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine has a molecular weight of 317.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 134088933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).