2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine

C13H26N4 — CID 110980247

IUPAC2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN1CCC(C)CC1
InChIInChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-8-11-17-9-5-12(2)6-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyFUHSMBYIHCBTAP-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.07
Rot. Bonds5

About 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine

2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine (PubChem CID 110980247) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine
PubChem CID110980247
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN1CCC(C)CC1
InChIInChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-8-11-17-9-5-12(2)6-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyFUHSMBYIHCBTAP-UHFFFAOYSA-N
XLogP1.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.07
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982652
2-methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111555795
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980610
1-cyclohexyl-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110957287
2-methyl-1-prop-2-enyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 110980986
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-methyl-3-prop-2-enylguanidine
CID 111759331
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982922
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839641
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111382693
1-(cyclopropylmethyl)-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111868254
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine (CID 110980247) is 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCCN1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine?
The InChIKey is FUHSMBYIHCBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-8-11-17-9-5-12(2)6-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine?
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine has a molecular weight of 238.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110980247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).