1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine

C13H21N5 — CID 116515198

IUPAC1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
SMILESCc1ccncc1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H21N5/c1-10-7-8-15-9-12(10)17-13(18-14)16-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3,(H2,16,17,18)
InChIKeyOUVABSWYRNVLAU-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.95
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine

1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine (PubChem CID 116515198) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
PubChem CID116515198
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
SMILESCc1ccncc1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H21N5/c1-10-7-8-15-9-12(10)17-13(18-14)16-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3,(H2,16,17,18)
InChIKeyOUVABSWYRNVLAU-UHFFFAOYSA-N
XLogP1.95
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-cyclopropyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515203
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
1-amino-2-cyclopropyl-3-isoquinolin-8-ylguanidine
CID 116515928
1-amino-2-cyclohexyl-3-(2,5-difluoro-4-methylphenyl)guanidine
CID 103587960
1-amino-2-cyclopentyl-3-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 116515674
1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
CID 116515197
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
CID 116516391
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
CID 116513464
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine (CID 116515198) is 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine is Cc1ccncc1N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine?
The InChIKey is OUVABSWYRNVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-7-8-15-9-12(10)17-13(18-14)16-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine?
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine has a molecular weight of 247.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine is sourced from PubChem (CID 116515198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).