2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine

C18H37N5 — CID 111019039

IUPAC2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCN(CC)C2CC2)NCC)CC1
InChIInChI=1S/C18H37N5/c1-4-12-22-13-9-16(10-14-22)21-18(19-5-2)20-11-15-23(6-3)17-7-8-17/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyRAGXUZZAZFLLBJ-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.90
Rot. Bonds9

About 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111019039) has the molecular formula C18H37N5 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111019039
Molecular FormulaC18H37N5
Molecular Weight323.53 g/mol
Exact Mass323.30
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCN(CC)C2CC2)NCC)CC1
InChIInChI=1S/C18H37N5/c1-4-12-22-13-9-16(10-14-22)21-18(19-5-2)20-11-15-23(6-3)17-7-8-17/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyRAGXUZZAZFLLBJ-UHFFFAOYSA-N
XLogP1.90
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017664
2-[4-(diethylamino)butyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017571
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961689
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111827184
1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111791545
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017357
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019470
1-ethyl-2-(4-methylsulfanylbutyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791550

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine (CID 111019039) is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/CCN(CC)C2CC2)NCC)CC1.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is RAGXUZZAZFLLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5/c1-4-12-22-13-9-16(10-14-22)21-18(19-5-2)20-11-15-23(6-3)17-7-8-17/h16-17H,4-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine?
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 323.53 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111019039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).