1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine

C18H30N4 — CID 111180753

IUPAC1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)NCC(C)C
InChIInChI=1S/C18H30N4/c1-5-19-18(20-12-14(2)3)21-13-15-8-9-17-16(11-15)7-6-10-22(17)4/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H2,19,20,21)
InChIKeyXUYSKAGCMMSSAP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.78
Rot. Bonds5

About 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine

1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 111180753) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID111180753
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)NCC(C)C
InChIInChI=1S/C18H30N4/c1-5-19-18(20-12-14(2)3)21-13-15-8-9-17-16(11-15)7-6-10-22(17)4/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H2,19,20,21)
InChIKeyXUYSKAGCMMSSAP-UHFFFAOYSA-N
XLogP2.78
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine (CID 111180753) is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine is CCN/C(=N\Cc1ccc2c(c1)CCCN2C)NCC(C)C.
What is the InChIKey of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is XUYSKAGCMMSSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-5-19-18(20-12-14(2)3)21-13-15-8-9-17-16(11-15)7-6-10-22(17)4/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine?
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 302.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111180753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).