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

C12H18N4 — CID 110916631

IUPAC2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
SMILESCN1CCCc2cc(CN=C(N)N)ccc21
InChIInChI=1S/C12H18N4/c1-16-6-2-3-10-7-9(4-5-11(10)16)8-15-12(13)14/h4-5,7H,2-3,6,8H2,1H3,(H4,13,14,15)
InChIKeyQRDUBLGVUIEIBA-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.84
Rot. Bonds2

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

2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine (PubChem CID 110916631) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
PubChem CID110916631
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
SMILESCN1CCCc2cc(CN=C(N)N)ccc21
InChIInChI=1S/C12H18N4/c1-16-6-2-3-10-7-9(4-5-11(10)16)8-15-12(13)14/h4-5,7H,2-3,6,8H2,1H3,(H4,13,14,15)
InChIKeyQRDUBLGVUIEIBA-UHFFFAOYSA-N
XLogP0.84
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine (CID 110916631) is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The canonical SMILES for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine is CN1CCCc2cc(CN=C(N)N)ccc21.
What is the InChIKey of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
The InChIKey is QRDUBLGVUIEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16-6-2-3-10-7-9(4-5-11(10)16)8-15-12(13)14/h4-5,7H,2-3,6,8H2,1H3,(H4,13,14,15).
What are the key properties of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine?
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine has a molecular weight of 218.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine is sourced from PubChem (CID 110916631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).