N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine

C18H25N3 — CID 64775461

IUPACN-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2nccnc2c1)C1CCC(C)CC1
InChIInChI=1S/C18H25N3/c1-3-19-18(14-6-4-13(2)5-7-14)15-8-9-16-17(12-15)21-11-10-20-16/h8-14,18-19H,3-7H2,1-2H3
InChIKeyZSPNVCTUIQACIQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds4

About N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine

N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine (PubChem CID 64775461) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
PubChem CID64775461
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2nccnc2c1)C1CCC(C)CC1
InChIInChI=1S/C18H25N3/c1-3-19-18(14-6-4-13(2)5-7-14)15-8-9-16-17(12-15)21-11-10-20-16/h8-14,18-19H,3-7H2,1-2H3
InChIKeyZSPNVCTUIQACIQ-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
[cyclobutyl(quinoxalin-6-yl)methyl]hydrazine
CID 105221961
N-methyl-1-(4-methylcyclohexyl)-1-quinolin-6-ylmethanamine
CID 64776674
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153760

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine (CID 64775461) is N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine is CCNC(c1ccc2nccnc2c1)C1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine?
The InChIKey is ZSPNVCTUIQACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-19-18(14-6-4-13(2)5-7-14)15-8-9-16-17(12-15)21-11-10-20-16/h8-14,18-19H,3-7H2,1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine?
N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine is sourced from PubChem (CID 64775461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).