2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine

C17H26N4 — CID 152753354

IUPAC2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine
SMILESCN(C)C1=CC(N)(C2CCCC(N)C2)Nc2ccccc21
InChIInChI=1S/C17H26N4/c1-21(2)16-11-17(19,12-6-5-7-13(18)10-12)20-15-9-4-3-8-14(15)16/h3-4,8-9,11-13,20H,5-7,10,18-19H2,1-2H3
InChIKeyTUDITSXAWREPPJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine

2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine (PubChem CID 152753354) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine
PubChem CID152753354
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine
SMILESCN(C)C1=CC(N)(C2CCCC(N)C2)Nc2ccccc21
InChIInChI=1S/C17H26N4/c1-21(2)16-11-17(19,12-6-5-7-13(18)10-12)20-15-9-4-3-8-14(15)16/h3-4,8-9,11-13,20H,5-7,10,18-19H2,1-2H3
InChIKeyTUDITSXAWREPPJ-UHFFFAOYSA-N
XLogP2.19
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine?
The IUPAC name of 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine (CID 152753354) is 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine.
What is the SMILES notation for 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine?
The canonical SMILES for 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine is CN(C)C1=CC(N)(C2CCCC(N)C2)Nc2ccccc21.
What is the InChIKey of 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine?
The InChIKey is TUDITSXAWREPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-21(2)16-11-17(19,12-6-5-7-13(18)10-12)20-15-9-4-3-8-14(15)16/h3-4,8-9,11-13,20H,5-7,10,18-19H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine?
2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine is sourced from PubChem (CID 152753354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).