1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine

C18H38N4 — CID 111791545

IUPAC1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCCCC(C)C)NCC)CC1
InChIInChI=1S/C18H38N4/c1-5-13-22-14-10-17(11-15-22)21-18(19-6-2)20-12-8-7-9-16(3)4/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyIKGDSCIISPVSJC-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.24
Rot. Bonds9

About 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine

1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111791545) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111791545
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCCCC(C)C)NCC)CC1
InChIInChI=1S/C18H38N4/c1-5-13-22-14-10-17(11-15-22)21-18(19-6-2)20-12-8-7-9-16(3)4/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyIKGDSCIISPVSJC-UHFFFAOYSA-N
XLogP3.24
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
1-ethyl-2-(4-methylsulfanylbutyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791550
2-[4-(diethylamino)butyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017571
1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
methyl 5-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]pentanoate;hydroiodide
CID 111017678
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017961
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017960
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
2-(3-cyclopentyl-3-ethoxypropyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111966808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine (CID 111791545) is 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/CCCCC(C)C)NCC)CC1.
What is the InChIKey of 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is IKGDSCIISPVSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-5-13-22-14-10-17(11-15-22)21-18(19-6-2)20-12-8-7-9-16(3)4/h16-17H,5-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine?
1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 310.53 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111791545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).