N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

C13H20ClN3 — CID 2965284

IUPACN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N(C)C)N1c2ccccc2CCC1C
InChIInChI=1S/C13H19N3.ClH/c1-10-8-9-11-6-4-5-7-12(11)16(10)13(14)15(2)3;/h4-7,10,14H,8-9H2,1-3H3;1H/b14-13+;
InChIKeyQOWOJEHDQQIOCM-IERUDJENSA-N
MW253.78 g/mol
LogP2.75
Rot. Bonds

About N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (PubChem CID 2965284) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
PubChem CID2965284
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N(C)C)N1c2ccccc2CCC1C
InChIInChI=1S/C13H19N3.ClH/c1-10-8-9-11-6-4-5-7-12(11)16(10)13(14)15(2)3;/h4-7,10,14H,8-9H2,1-3H3;1H/b14-13+;
InChIKeyQOWOJEHDQQIOCM-IERUDJENSA-N
XLogP2.75
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The IUPAC name of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (CID 2965284) is N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.
What is the SMILES notation for N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The canonical SMILES for N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N(C)C)N1c2ccccc2CCC1C.
What is the InChIKey of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The InChIKey is QOWOJEHDQQIOCM-IERUDJENSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-10-8-9-11-6-4-5-7-12(11)16(10)13(14)15(2)3;/h4-7,10,14H,8-9H2,1-3H3;1H/b14-13+;.
What are the key properties of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is sourced from PubChem (CID 2965284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).