6-butan-2-yl-N,N-dimethylpyridin-3-amine

C11H18N2 — CID 134461277

IUPAC6-butan-2-yl-N,N-dimethylpyridin-3-amine
SMILESCCC(C)c1ccc(N(C)C)cn1
InChIInChI=1S/C11H18N2/c1-5-9(2)11-7-6-10(8-12-11)13(3)4/h6-9H,5H2,1-4H3
InChIKeyRVGAFZSDSSRNSW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds3

About 6-butan-2-yl-N,N-dimethylpyridin-3-amine

6-butan-2-yl-N,N-dimethylpyridin-3-amine (PubChem CID 134461277) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-butan-2-yl-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-butan-2-yl-N,N-dimethylpyridin-3-amine
PubChem CID134461277
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-butan-2-yl-N,N-dimethylpyridin-3-amine
SMILESCCC(C)c1ccc(N(C)C)cn1
InChIInChI=1S/C11H18N2/c1-5-9(2)11-7-6-10(8-12-11)13(3)4/h6-9H,5H2,1-4H3
InChIKeyRVGAFZSDSSRNSW-UHFFFAOYSA-N
XLogP2.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-butan-2-yl-N,N-dimethylpyridin-3-amine (CID 134461277) is 6-butan-2-yl-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-butan-2-yl-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-butan-2-yl-N,N-dimethylpyridin-3-amine is CCC(C)c1ccc(N(C)C)cn1.
What is the InChIKey of 6-butan-2-yl-N,N-dimethylpyridin-3-amine?
The InChIKey is RVGAFZSDSSRNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9(2)11-7-6-10(8-12-11)13(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 6-butan-2-yl-N,N-dimethylpyridin-3-amine?
6-butan-2-yl-N,N-dimethylpyridin-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 134461277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).