2-butyl-6-ethyl-3,4-dihydropyridin-3-amine

C11H20N2 — CID 137457218

IUPAC2-butyl-6-ethyl-3,4-dihydropyridin-3-amine
SMILESCCCCC1=NC(CC)=CCC1N
InChIInChI=1S/C11H20N2/c1-3-5-6-11-10(12)8-7-9(4-2)13-11/h7,10H,3-6,8,12H2,1-2H3
InChIKeySSEWOCSKPRIEPT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.64
Rot. Bonds4

About 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine

2-butyl-6-ethyl-3,4-dihydropyridin-3-amine (PubChem CID 137457218) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-butyl-6-ethyl-3,4-dihydropyridin-3-amine
PubChem CID137457218
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-butyl-6-ethyl-3,4-dihydropyridin-3-amine
SMILESCCCCC1=NC(CC)=CCC1N
InChIInChI=1S/C11H20N2/c1-3-5-6-11-10(12)8-7-9(4-2)13-11/h7,10H,3-6,8,12H2,1-2H3
InChIKeySSEWOCSKPRIEPT-UHFFFAOYSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine?
The IUPAC name of 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine (CID 137457218) is 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine.
What is the SMILES notation for 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine?
The canonical SMILES for 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine is CCCCC1=NC(CC)=CCC1N.
What is the InChIKey of 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine?
The InChIKey is SSEWOCSKPRIEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-11-10(12)8-7-9(4-2)13-11/h7,10H,3-6,8,12H2,1-2H3.
What are the key properties of 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine?
2-butyl-6-ethyl-3,4-dihydropyridin-3-amine has a molecular weight of 180.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-ethyl-3,4-dihydropyridin-3-amine is sourced from PubChem (CID 137457218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).