1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine

C17H34N4 — CID 111060057

IUPAC1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCCN1CCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C17H34N4/c1-15-9-5-7-13-21(15)14-8-6-12-19-17(18)20-16-10-3-2-4-11-16/h15-16H,2-14H2,1H3,(H3,18,19,20)
InChIKeyDJALHYUTCMIRHC-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.88
Rot. Bonds6

About 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine

1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 111060057) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
PubChem CID111060057
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCCN1CCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C17H34N4/c1-15-9-5-7-13-21(15)14-8-6-12-19-17(18)20-16-10-3-2-4-11-16/h15-16H,2-14H2,1H3,(H3,18,19,20)
InChIKeyDJALHYUTCMIRHC-UHFFFAOYSA-N
XLogP2.88
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111032942
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
ethyl 4-[[N'-[2-(2-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111056779
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (CID 111060057) is 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is CC1CCCCN1CCCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is DJALHYUTCMIRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15-9-5-7-13-21(15)14-8-6-12-19-17(18)20-16-10-3-2-4-11-16/h15-16H,2-14H2,1H3,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 294.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 111060057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).