3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine

C19H32N2O — CID 19694045

IUPAC3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
SMILESCCOc1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C
InChIInChI=1S/C19H32N2O/c1-6-19(4,5)15-8-10-16(11-9-15)21-17-12-13-20-14(3)18(17)22-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,20,21)
InChIKeyIUCBEOQYVFDQIE-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.20
Rot. Bonds6

About 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine

3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine (PubChem CID 19694045) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine.

Molecular Properties

Compound Name3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
PubChem CID19694045
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
SMILESCCOc1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C
InChIInChI=1S/C19H32N2O/c1-6-19(4,5)15-8-10-16(11-9-15)21-17-12-13-20-14(3)18(17)22-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,20,21)
InChIKeyIUCBEOQYVFDQIE-UHFFFAOYSA-N
XLogP5.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine?
The IUPAC name of 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine (CID 19694045) is 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine.
What is the SMILES notation for 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine?
The canonical SMILES for 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine is CCOc1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C.
What is the InChIKey of 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine?
The InChIKey is IUCBEOQYVFDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-6-19(4,5)15-8-10-16(11-9-15)21-17-12-13-20-14(3)18(17)22-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,20,21).
What are the key properties of 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine?
3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine has a molecular weight of 304.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine is sourced from PubChem (CID 19694045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).