1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C19H39N5 — CID 111370557

IUPAC1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1CCN(CC)C1)NCCCN1CCCCC1C
InChIInChI=1S/C19H39N5/c1-4-20-19(22-15-18-10-14-23(5-2)16-18)21-11-8-13-24-12-7-6-9-17(24)3/h17-18H,4-16H2,1-3H3,(H2,20,21,22)
InChIKeyQBCJAPQTUOQNMS-UHFFFAOYSA-N
MW337.56 g/mol
LogP2.15
Rot. Bonds8

About 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111370557) has the molecular formula C19H39N5 and a molecular weight of 337.56 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111370557
Molecular FormulaC19H39N5
Molecular Weight337.56 g/mol
Exact Mass337.32
IUPAC Name1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1CCN(CC)C1)NCCCN1CCCCC1C
InChIInChI=1S/C19H39N5/c1-4-20-19(22-15-18-10-14-23(5-2)16-18)21-11-8-13-24-12-7-6-9-17(24)3/h17-18H,4-16H2,1-3H3,(H2,20,21,22)
InChIKeyQBCJAPQTUOQNMS-UHFFFAOYSA-N
XLogP2.15
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-1-ethyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111869440
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111789557
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371174
1-butyl-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111151529
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971773
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370675
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111965789
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111370313
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371110
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111604744
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371242
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 111797036

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 111370557) is 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CC1CCN(CC)C1)NCCCN1CCCCC1C.
What is the InChIKey of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is QBCJAPQTUOQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5/c1-4-20-19(22-15-18-10-14-23(5-2)16-18)21-11-8-13-24-12-7-6-9-17(24)3/h17-18H,4-16H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 337.56 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111370557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).