3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine

C17H23N3 — CID 64739704

IUPAC3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2cnc3ccccc3n2)CC1C
InChIInChI=1S/C17H23N3/c1-12-7-8-14(9-13(12)2)18-10-15-11-19-16-5-3-4-6-17(16)20-15/h3-6,11-14,18H,7-10H2,1-2H3
InChIKeyMYRXKWFKODKUPV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds3

About 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine

3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64739704) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine
PubChem CID64739704
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2cnc3ccccc3n2)CC1C
InChIInChI=1S/C17H23N3/c1-12-7-8-14(9-13(12)2)18-10-15-11-19-16-5-3-4-6-17(16)20-15/h3-6,11-14,18H,7-10H2,1-2H3
InChIKeyMYRXKWFKODKUPV-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine (CID 64739704) is 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2cnc3ccccc3n2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is MYRXKWFKODKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-8-14(9-13(12)2)18-10-15-11-19-16-5-3-4-6-17(16)20-15/h3-6,11-14,18H,7-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine?
3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64739704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).