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

C18H30N4 — CID 111001097

IUPAC2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
SMILESC/N=C(/NCc1ccc2c(c1)CCCN2C)NC(C)C(C)C
InChIInChI=1S/C18H30N4/c1-13(2)14(3)21-18(19-4)20-12-15-8-9-17-16(11-15)7-6-10-22(17)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H2,19,20,21)
InChIKeyCCQODBSFHGDJFK-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.78
Rot. Bonds4

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

2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine (PubChem CID 111001097) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
PubChem CID111001097
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
SMILESC/N=C(/NCc1ccc2c(c1)CCCN2C)NC(C)C(C)C
InChIInChI=1S/C18H30N4/c1-13(2)14(3)21-18(19-4)20-12-15-8-9-17-16(11-15)7-6-10-22(17)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H2,19,20,21)
InChIKeyCCQODBSFHGDJFK-UHFFFAOYSA-N
XLogP2.78
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine with MolForge

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Related Compounds

2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110948470
1,2-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 110916628
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 110998386
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135800
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 109410167
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 111693838
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374812
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314130
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 111170874
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 111142799
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 111355071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine (CID 111001097) is 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine is C/N=C(/NCc1ccc2c(c1)CCCN2C)NC(C)C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The InChIKey is CCQODBSFHGDJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-13(2)14(3)21-18(19-4)20-12-15-8-9-17-16(11-15)7-6-10-22(17)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine has a molecular weight of 302.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine is sourced from PubChem (CID 111001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).