1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine

C15H30N4 — CID 110934011

IUPAC1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESC/N=C(\NCCCCN1CCCCC1C)NC1CC1
InChIInChI=1S/C15H30N4/c1-13-7-3-5-11-19(13)12-6-4-10-17-15(16-2)18-14-8-9-14/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyDYGQXGRRRRZFFU-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.97
Rot. Bonds6

About 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine

1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 110934011) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
PubChem CID110934011
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESC/N=C(\NCCCCN1CCCCC1C)NC1CC1
InChIInChI=1S/C15H30N4/c1-13-7-3-5-11-19(13)12-6-4-10-17-15(16-2)18-14-8-9-14/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyDYGQXGRRRRZFFU-UHFFFAOYSA-N
XLogP1.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.97
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

2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370522
1-cyclohexyl-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110957289
ethyl 4-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327910
2-methyl-1-(2-methylcyclopropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370782
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909963
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371247
2-methyl-N-[2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111371125
1-cyclohexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110957463
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401115
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylpropyl)guanidine
CID 111786167
1-[4-(diethylamino)butyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370745
1-(5-methoxypentyl)-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370196

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine (CID 110934011) is 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine is C/N=C(\NCCCCN1CCCCC1C)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is DYGQXGRRRRZFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-13-7-3-5-11-19(13)12-6-4-10-17-15(16-2)18-14-8-9-14/h13-14H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 110934011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).