(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine

C18H21N3S — CID 97068033

IUPAC(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(NC[C@H](c2cccs2)N(C)C)c2ccccc2n1
InChIInChI=1S/C18H21N3S/c1-13-11-16(14-7-4-5-8-15(14)20-13)19-12-17(21(2)3)18-9-6-10-22-18/h4-11,17H,12H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyFDFUWNDKEQDKRQ-QGZVFWFLSA-N
MW311.45 g/mol
LogP4.32
Rot. Bonds5

About (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine

(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 97068033) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID97068033
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(NC[C@H](c2cccs2)N(C)C)c2ccccc2n1
InChIInChI=1S/C18H21N3S/c1-13-11-16(14-7-4-5-8-15(14)20-13)19-12-17(21(2)3)18-9-6-10-22-18/h4-11,17H,12H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyFDFUWNDKEQDKRQ-QGZVFWFLSA-N
XLogP4.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine with MolForge

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Related Compounds

2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 133306714
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
CID 65027861
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
CID 61283485
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 97068033) is (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine is Cc1cc(NC[C@H](c2cccs2)N(C)C)c2ccccc2n1.
What is the InChIKey of (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is FDFUWNDKEQDKRQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3S/c1-13-11-16(14-7-4-5-8-15(14)20-13)19-12-17(21(2)3)18-9-6-10-22-18/h4-11,17H,12H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 311.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 97068033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).