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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Related Compounds

N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 79122150
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
CID 102987398
N-cyclopropyl-N-methyl-3-[(E)-prop-1-enyl]quinoxalin-2-amine
CID 58327983
N-cyclopropyl-N-methyl-3-prop-1-enylquinoxalin-2-amine
CID 76761944
2-N,3-N-dimethyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine
CID 71642511
4-N-(3-bromo-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110265
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
CID 80775432
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyridin-2-amine
CID 155976483
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505

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).