1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C15H30N4 — CID 110988858

IUPAC1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NC1CC1
InChIInChI=1S/C15H30N4/c1-4-16-14(18-13-8-9-13)17-12-15(2,3)19-10-6-5-7-11-19/h13H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyQVZODORPVSONTB-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.97
Rot. Bonds5

About 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 110988858) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID110988858
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NC1CC1
InChIInChI=1S/C15H30N4/c1-4-16-14(18-13-8-9-13)17-12-15(2,3)19-10-6-5-7-11-19/h13H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyQVZODORPVSONTB-UHFFFAOYSA-N
XLogP1.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528736
1-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111320910
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
CID 111321466
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125239
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111320950
1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 110992479
1-butan-2-yl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110945084
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111606095
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109392274
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320328

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 110988858) is 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCCCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is QVZODORPVSONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-16-14(18-13-8-9-13)17-12-15(2,3)19-10-6-5-7-11-19/h13H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 110988858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).