1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine

C19H41N5O — CID 111651500

IUPAC1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(C)CC1)NCCN(C)CCCOC
InChIInChI=1S/C19H41N5O/c1-5-20-19(22-11-16-23(3)12-7-17-25-4)21-10-6-13-24-14-8-18(2)9-15-24/h18H,5-17H2,1-4H3,(H2,20,21,22)
InChIKeyQAIIBBLNPIEODU-UHFFFAOYSA-N
MW355.57 g/mol
LogP1.63
Rot. Bonds12

About 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111651500) has the molecular formula C19H41N5O and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111651500
Molecular FormulaC19H41N5O
Molecular Weight355.57 g/mol
Exact Mass355.33
IUPAC Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(C)CC1)NCCN(C)CCCOC
InChIInChI=1S/C19H41N5O/c1-5-20-19(22-11-16-23(3)12-7-17-25-4)21-10-6-13-24-14-8-18(2)9-15-24/h18H,5-17H2,1-4H3,(H2,20,21,22)
InChIKeyQAIIBBLNPIEODU-UHFFFAOYSA-N
XLogP1.63
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 51.63
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

2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652578
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111652568
1-ethyl-2-(3-methoxypropyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 110973779
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111652857
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111653214
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111653673
2-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387833
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387906
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111653711

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine (CID 111651500) is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CCCN1CCC(C)CC1)NCCN(C)CCCOC.
What is the InChIKey of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is QAIIBBLNPIEODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5O/c1-5-20-19(22-11-16-23(3)12-7-17-25-4)21-10-6-13-24-14-8-18(2)9-15-24/h18H,5-17H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 355.57 g/mol, XLogP of 1.63, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111651500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).