N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H31N3O — CID 62293749

IUPACN-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CCOC)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-7-20(8-9-21-6)17-16(12-18-11-13(2)3)14(4)10-15(5)19-17/h10,13,18H,7-9,11-12H2,1-6H3
InChIKeyHESRVAOLDOOVGN-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.92
Rot. Bonds9

About N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62293749) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62293749
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CCOC)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-7-20(8-9-21-6)17-16(12-18-11-13(2)3)14(4)10-15(5)19-17/h10,13,18H,7-9,11-12H2,1-6H3
InChIKeyHESRVAOLDOOVGN-UHFFFAOYSA-N
XLogP2.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62293749) is N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(CCOC)c1nc(C)cc(C)c1CNCC(C)C.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is HESRVAOLDOOVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-20(8-9-21-6)17-16(12-18-11-13(2)3)14(4)10-15(5)19-17/h10,13,18H,7-9,11-12H2,1-6H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62293749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).