ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate

C14H26N2O2 — CID 23395547

IUPACethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate
SMILESCCOC(=O)C(NC1=C(C)CN(C)CC1)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-18-14(17)13(10(2)3)15-12-7-8-16(5)9-11(12)4/h10,13,15H,6-9H2,1-5H3
InChIKeyUQFPBIYFMAKSQM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate

ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate (PubChem CID 23395547) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate
PubChem CID23395547
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate
SMILESCCOC(=O)C(NC1=C(C)CN(C)CC1)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-18-14(17)13(10(2)3)15-12-7-8-16(5)9-11(12)4/h10,13,15H,6-9H2,1-5H3
InChIKeyUQFPBIYFMAKSQM-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate?
The IUPAC name of ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate (CID 23395547) is ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate is CCOC(=O)C(NC1=C(C)CN(C)CC1)C(C)C.
What is the InChIKey of ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate?
The InChIKey is UQFPBIYFMAKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-18-14(17)13(10(2)3)15-12-7-8-16(5)9-11(12)4/h10,13,15H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate?
ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate has a molecular weight of 254.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 23395547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).