N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine

C15H27N3 — CID 62279317

IUPACN-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-7-12(2)18(6)14-10-13(8-9-16-14)11-17-15(3,4)5/h8-10,12,17H,7,11H2,1-6H3
InChIKeyOCUVUSYWOUYMLT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.20
Rot. Bonds5

About N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine

N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62279317) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62279317
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-7-12(2)18(6)14-10-13(8-9-16-14)11-17-15(3,4)5/h8-10,12,17H,7,11H2,1-6H3
InChIKeyOCUVUSYWOUYMLT-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.20
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-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine (CID 62279317) is N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine is CCC(C)N(C)c1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is OCUVUSYWOUYMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-12(2)18(6)14-10-13(8-9-16-14)11-17-15(3,4)5/h8-10,12,17H,7,11H2,1-6H3.
What are the key properties of N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine?
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62279317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).