5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine

C21H31N3 — CID 167157059

IUPAC5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
SMILESCCCCCc1cc(Cc2cccc(CN(C)C)c2)c(C)nc1N
InChIInChI=1S/C21H31N3/c1-5-6-7-11-19-14-20(16(2)23-21(19)22)13-17-9-8-10-18(12-17)15-24(3)4/h8-10,12,14H,5-7,11,13,15H2,1-4H3,(H2,22,23)
InChIKeyVNXMDOQABPXZPA-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.36
Rot. Bonds8

About 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine

5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine (PubChem CID 167157059) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
PubChem CID167157059
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
SMILESCCCCCc1cc(Cc2cccc(CN(C)C)c2)c(C)nc1N
InChIInChI=1S/C21H31N3/c1-5-6-7-11-19-14-20(16(2)23-21(19)22)13-17-9-8-10-18(12-17)15-24(3)4/h8-10,12,14H,5-7,11,13,15H2,1-4H3,(H2,22,23)
InChIKeyVNXMDOQABPXZPA-UHFFFAOYSA-N
XLogP4.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The IUPAC name of 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine (CID 167157059) is 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine.
What is the SMILES notation for 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The canonical SMILES for 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine is CCCCCc1cc(Cc2cccc(CN(C)C)c2)c(C)nc1N.
What is the InChIKey of 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The InChIKey is VNXMDOQABPXZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-5-6-7-11-19-14-20(16(2)23-21(19)22)13-17-9-8-10-18(12-17)15-24(3)4/h8-10,12,14H,5-7,11,13,15H2,1-4H3,(H2,22,23).
What are the key properties of 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine has a molecular weight of 325.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine is sourced from PubChem (CID 167157059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).