1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine

C20H43N5 — CID 111387906

IUPAC1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(C)CC1)NCCCCN(CC)CC
InChIInChI=1S/C20H43N5/c1-5-21-20(22-13-8-9-15-24(6-2)7-3)23-14-10-16-25-17-11-19(4)12-18-25/h19H,5-18H2,1-4H3,(H2,21,22,23)
InChIKeyJRZASDINMUPXPX-UHFFFAOYSA-N
MW353.60 g/mol
LogP2.79
Rot. Bonds12

About 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine

1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111387906) has the molecular formula C20H43N5 and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111387906
Molecular FormulaC20H43N5
Molecular Weight353.60 g/mol
Exact Mass353.35
IUPAC Name1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(C)CC1)NCCCCN(CC)CC
InChIInChI=1S/C20H43N5/c1-5-21-20(22-13-8-9-15-24(6-2)7-3)23-14-10-16-25-17-11-19(4)12-18-25/h19H,5-18H2,1-4H3,(H2,21,22,23)
InChIKeyJRZASDINMUPXPX-UHFFFAOYSA-N
XLogP2.79
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 52.79
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

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 110999775
2-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387833
N-[2-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111387215
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine
CID 111587799
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111786671
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388017
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111393165
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111651500
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111386580
2-[4-(diethylamino)butyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017571
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111573737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine (CID 111387906) is 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CCCN1CCC(C)CC1)NCCCCN(CC)CC.
What is the InChIKey of 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is JRZASDINMUPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N5/c1-5-21-20(22-13-8-9-15-24(6-2)7-3)23-14-10-16-25-17-11-19(4)12-18-25/h19H,5-18H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine?
1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 353.60 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).