1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

C21H37N5 — CID 111017989

IUPAC1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCN(CC)c2ccccc2C)CC1
InChIInChI=1S/C21H37N5/c1-5-14-25-15-11-19(12-16-25)24-21(22-4)23-13-17-26(6-2)20-10-8-7-9-18(20)3/h7-10,19H,5-6,11-17H2,1-4H3,(H2,22,23,24)
InChIKeyLQEFNWFUDFXREL-UHFFFAOYSA-N
MW359.56 g/mol
LogP2.86
Rot. Bonds8

About 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111017989) has the molecular formula C21H37N5 and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111017989
Molecular FormulaC21H37N5
Molecular Weight359.56 g/mol
Exact Mass359.30
IUPAC Name1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCCN(CC)c2ccccc2C)CC1
InChIInChI=1S/C21H37N5/c1-5-14-25-15-11-19(12-16-25)24-21(22-4)23-13-17-26(6-2)20-10-8-7-9-18(20)3/h7-10,19H,5-6,11-17H2,1-4H3,(H2,22,23,24)
InChIKeyLQEFNWFUDFXREL-UHFFFAOYSA-N
XLogP2.86
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.86
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'}

Analyze 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962902
1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide
CID 111869669
1-(3-anilinopropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017764
2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111017595
2-methyl-1-(3-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018452
2-methyl-1-(3-phenylsulfanylpropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018217
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019040
2-methyl-1-[4-(4-phenylpiperazin-1-yl)butyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017977
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111833086
1-(2,2-diphenylethyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019164
2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111018105
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (CID 111017989) is 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/C)NCCN(CC)c2ccccc2C)CC1.
What is the InChIKey of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is LQEFNWFUDFXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5/c1-5-14-25-15-11-19(12-16-25)24-21(22-4)23-13-17-26(6-2)20-10-8-7-9-18(20)3/h7-10,19H,5-6,11-17H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 359.56 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111017989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).