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

C12H18N4 — CID 82285615

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1CCCc2ccccc21
InChIInChI=1S/C12H18N4/c13-12(14)15-7-9-16-8-3-5-10-4-1-2-6-11(10)16/h1-2,4,6H,3,5,7-9H2,(H4,13,14,15)
InChIKeyXCXZRFIGCPOPHM-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.71
Rot. Bonds3

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

2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine (PubChem CID 82285615) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
PubChem CID82285615
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1CCCc2ccccc21
InChIInChI=1S/C12H18N4/c13-12(14)15-7-9-16-8-3-5-10-4-1-2-6-11(10)16/h1-2,4,6H,3,5,7-9H2,(H4,13,14,15)
InChIKeyXCXZRFIGCPOPHM-UHFFFAOYSA-N
XLogP0.71
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.71
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

2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
CID 3095129
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
CID 4686823
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine (CID 82285615) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine is NC(N)=NCCN1CCCc2ccccc21.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine?
The InChIKey is XCXZRFIGCPOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-12(14)15-7-9-16-8-3-5-10-4-1-2-6-11(10)16/h1-2,4,6H,3,5,7-9H2,(H4,13,14,15).
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine has a molecular weight of 218.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine is sourced from PubChem (CID 82285615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).