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

C13H20N4O — CID 3095129

IUPAC2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
SMILESNC(N)=NCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C13H20N4O/c14-13(15)16-8-11(18)9-17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,11,18H,3,5,7-9H2,(H4,14,15,16)
InChIKeyZTTUBNBZPOZNRF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.07
Rot. Bonds4

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

2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine (PubChem CID 3095129) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
PubChem CID3095129
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
SMILESNC(N)=NCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C13H20N4O/c14-13(15)16-8-11(18)9-17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,11,18H,3,5,7-9H2,(H4,14,15,16)
InChIKeyZTTUBNBZPOZNRF-UHFFFAOYSA-N
XLogP0.07
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
CID 82285615
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86912362
1-(azetidin-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanol
CID 115007056
1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43165785

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine (CID 3095129) is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine is NC(N)=NCC(O)CN1CCCc2ccccc21.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine?
The InChIKey is ZTTUBNBZPOZNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)16-8-11(18)9-17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,11,18H,3,5,7-9H2,(H4,14,15,16).
What are the key properties of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine?
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine has a molecular weight of 248.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 3095129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).