1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine

C15H30N4 — CID 111758792

IUPAC1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NCC1CCCN(C)C1)NC1CCCCC1
InChIInChI=1S/C15H30N4/c1-16-15(18-14-8-4-3-5-9-14)17-11-13-7-6-10-19(2)12-13/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyIAGBSFWKIBMKSA-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.83
Rot. Bonds3

About 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine

1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine (PubChem CID 111758792) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
PubChem CID111758792
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NCC1CCCN(C)C1)NC1CCCCC1
InChIInChI=1S/C15H30N4/c1-16-15(18-14-8-4-3-5-9-14)17-11-13-7-6-10-19(2)12-13/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyIAGBSFWKIBMKSA-UHFFFAOYSA-N
XLogP1.83
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.83
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

1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109482868
tert-butyl 3-[[N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466233
1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018920
1-(2-methoxyethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758540
1-cyclohexyl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 110957380
1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110990004
1-(cyclopropylmethyl)-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111870502
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530711

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine (CID 111758792) is 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine is C/N=C(\NCC1CCCN(C)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine?
The InChIKey is IAGBSFWKIBMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-16-15(18-14-8-4-3-5-9-14)17-11-13-7-6-10-19(2)12-13/h13-14H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine?
1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111758792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).