1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine

C17H24N4 — CID 79117532

IUPAC1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C17H24N4/c1-12-17(20-16-7-5-4-6-15(16)19-12)21(3)14-10-8-13(18-2)9-11-14/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyWJXPIBOSRYSKSN-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.91
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine (PubChem CID 79117532) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
PubChem CID79117532
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C17H24N4/c1-12-17(20-16-7-5-4-6-15(16)19-12)21(3)14-10-8-13(18-2)9-11-14/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyWJXPIBOSRYSKSN-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine (CID 79117532) is 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)c2nc3ccccc3nc2C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is WJXPIBOSRYSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-17(20-16-7-5-4-6-15(16)19-12)21(3)14-10-8-13(18-2)9-11-14/h4-7,13-14,18H,8-11H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79117532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).