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

C17H28N4 — CID 111126917

IUPAC1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)NC(C)C
InChIInChI=1S/C17H28N4/c1-5-18-17(20-13(2)3)19-12-14-8-9-16-15(11-14)7-6-10-21(16)4/h8-9,11,13H,5-7,10,12H2,1-4H3,(H2,18,19,20)
InChIKeyBQRNJVOCYNECFL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.53
Rot. Bonds4

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

1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine (PubChem CID 111126917) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine
PubChem CID111126917
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)NC(C)C
InChIInChI=1S/C17H28N4/c1-5-18-17(20-13(2)3)19-12-14-8-9-16-15(11-14)7-6-10-21(16)4/h8-9,11,13H,5-7,10,12H2,1-4H3,(H2,18,19,20)
InChIKeyBQRNJVOCYNECFL-UHFFFAOYSA-N
XLogP2.53
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.53
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'}

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Related Compounds

1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111180753
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine
CID 111850252
tert-butyl N-[2-[[N-ethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883736
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 109419716
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283494
1-ethyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-propan-2-ylguanidine
CID 111127328
1-ethyl-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 109445603
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 109439362
1-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111123875
1-ethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-ylguanidine
CID 111125758
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine (CID 111126917) is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine is CCN/C(=N\Cc1ccc2c(c1)CCCN2C)NC(C)C.
What is the InChIKey of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine?
The InChIKey is BQRNJVOCYNECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-18-17(20-13(2)3)19-12-14-8-9-16-15(11-14)7-6-10-21(16)4/h8-9,11,13H,5-7,10,12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine?
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.53, 4 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-propan-2-ylguanidine is sourced from PubChem (CID 111126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).