1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine

C16H27N5O — CID 111041409

IUPAC1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H27N5O/c1-2-22-11-5-7-19-16(17)20-13-14-6-8-18-15(12-14)21-9-3-4-10-21/h6,8,12H,2-5,7,9-11,13H2,1H3,(H3,17,19,20)
InChIKeyTVVLEYOCXMVGAC-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.51
Rot. Bonds8

About 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine

1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 111041409) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID111041409
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H27N5O/c1-2-22-11-5-7-19-16(17)20-13-14-6-8-18-15(12-14)21-9-3-4-10-21/h6,8,12H,2-5,7,9-11,13H2,1H3,(H3,17,19,20)
InChIKeyTVVLEYOCXMVGAC-UHFFFAOYSA-N
XLogP1.51
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(3-ethoxypropyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049036
1-(3-ethoxypropyl)-3-ethyl-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111223647
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(cyclobutylmethyl)guanidine
CID 111805522
1-(2-phenylethyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041383
1-(3-ethoxypropyl)-2-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111225129
1-hexyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049024
1-(3-ethoxypropyl)-2-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111225128
1-(3-morpholin-4-ylpropyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041217
2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine
CID 111086967
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041440
2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-octylguanidine;hydroiodide
CID 111086960
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111805504

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine (CID 111041409) is 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine is CCOCCCN/C(N)=N/Cc1ccnc(N2CCCC2)c1.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is TVVLEYOCXMVGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-22-11-5-7-19-16(17)20-13-14-6-8-18-15(12-14)21-9-3-4-10-21/h6,8,12H,2-5,7,9-11,13H2,1H3,(H3,17,19,20).
What are the key properties of 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine?
1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 305.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111041409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).