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

C13H19N3 — CID 2965285

IUPACN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILES[H]/N=C(\N(C)C)N1c2ccccc2CCC1C
InChIInChI=1S/C13H19N3/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/b14-13+
InChIKeyHDYOYIAYFPQPIP-BUHFOSPRSA-N
MW217.32 g/mol
LogP2.32
Rot. Bonds

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

N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 2965285) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID2965285
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILES[H]/N=C(\N(C)C)N1c2ccccc2CCC1C
InChIInChI=1S/C13H19N3/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/b14-13+
InChIKeyHDYOYIAYFPQPIP-BUHFOSPRSA-N
XLogP2.32
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.32
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?
The IUPAC name of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 2965285) is N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide is [H]/N=C(\N(C)C)N1c2ccccc2CCC1C.
What is the InChIKey of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is HDYOYIAYFPQPIP-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N3/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/b14-13+.
What are the key properties of N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.32, 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 is sourced from PubChem (CID 2965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).