N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine

C17H22N2 — CID 82452419

IUPACN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C17H22N2/c1-4-13(2)18-12-16-10-11-17(19-14(16)3)15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3
InChIKeyCEKMZWKGSLMEPM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine

N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine (PubChem CID 82452419) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine
PubChem CID82452419
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C17H22N2/c1-4-13(2)18-12-16-10-11-17(19-14(16)3)15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3
InChIKeyCEKMZWKGSLMEPM-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine?
The IUPAC name of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine (CID 82452419) is N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine is CCC(C)NCc1ccc(-c2ccccc2)nc1C.
What is the InChIKey of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine?
The InChIKey is CEKMZWKGSLMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-13(2)18-12-16-10-11-17(19-14(16)3)15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3.
What are the key properties of N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine?
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 82452419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).