1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine

C16H32N4 — CID 110982979

IUPAC1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(CC(C)C)N1CCCC1)NCC
InChIInChI=1S/C16H32N4/c1-5-9-18-16(17-6-2)19-13-15(12-14(3)4)20-10-7-8-11-20/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19)
InChIKeyZGCCTIYVYXVTMG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.24
Rot. Bonds8

About 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine

1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine (PubChem CID 110982979) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine
PubChem CID110982979
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(CC(C)C)N1CCCC1)NCC
InChIInChI=1S/C16H32N4/c1-5-9-18-16(17-6-2)19-13-15(12-14(3)4)20-10-7-8-11-20/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19)
InChIKeyZGCCTIYVYXVTMG-UHFFFAOYSA-N
XLogP2.24
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.24
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

1-cyclopropyl-3-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 110989396
1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111237234
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111935886
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981866
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981880
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
1-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981876
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-prop-2-enylguanidine
CID 110982629

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine (CID 110982979) is 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine is C=CCN/C(=N/CC(CC(C)C)N1CCCC1)NCC.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine?
The InChIKey is ZGCCTIYVYXVTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-5-9-18-16(17-6-2)19-13-15(12-14(3)4)20-10-7-8-11-20/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine?
1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine has a molecular weight of 280.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine is sourced from PubChem (CID 110982979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).