1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine

C15H28N4 — CID 111321466

IUPAC1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)(C)N1CCCCC1)NCC
InChIInChI=1S/C15H28N4/c1-5-10-17-14(16-6-2)18-13-15(3,4)19-11-8-7-9-12-19/h1H,6-13H2,2-4H3,(H2,16,17,18)
InChIKeyWEQIHXPCCXXESR-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds5

About 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine

1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine (PubChem CID 111321466) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
PubChem CID111321466
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)(C)N1CCCCC1)NCC
InChIInChI=1S/C15H28N4/c1-5-10-17-14(16-6-2)18-13-15(3,4)19-11-8-7-9-12-19/h1H,6-13H2,2-4H3,(H2,16,17,18)
InChIKeyWEQIHXPCCXXESR-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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-propan-2-ylguanidine;hydroiodide
CID 111125239
1-butan-2-yl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110945084
1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110988858
tert-butyl N-[2-[[N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111321005
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111321120
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111320950
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528736
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320386
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320017
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-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine (CID 111321466) is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine is C#CCN/C(=N/CC(C)(C)N1CCCCC1)NCC.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine?
The InChIKey is WEQIHXPCCXXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-10-17-14(16-6-2)18-13-15(3,4)19-11-8-7-9-12-19/h1H,6-13H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine?
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine has a molecular weight of 264.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 111321466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).