N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine

C15H27N3 — CID 62280727

IUPACN-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCCNCc1c(C)cc(C)nc1N(C)C(C)CC
InChIInChI=1S/C15H27N3/c1-7-13(5)18(6)15-14(10-16-8-2)11(3)9-12(4)17-15/h9,13,16H,7-8,10H2,1-6H3
InChIKeyVQYYBBGHWZZZFP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.04
Rot. Bonds6

About N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine

N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine (PubChem CID 62280727) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
PubChem CID62280727
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCCNCc1c(C)cc(C)nc1N(C)C(C)CC
InChIInChI=1S/C15H27N3/c1-7-13(5)18(6)15-14(10-16-8-2)11(3)9-12(4)17-15/h9,13,16H,7-8,10H2,1-6H3
InChIKeyVQYYBBGHWZZZFP-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine (CID 62280727) is N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine is CCNCc1c(C)cc(C)nc1N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine?
The InChIKey is VQYYBBGHWZZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-13(5)18(6)15-14(10-16-8-2)11(3)9-12(4)17-15/h9,13,16H,7-8,10H2,1-6H3.
What are the key properties of N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine?
N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 62280727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).