6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine

C19H27N3 — CID 130449315

IUPAC6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCCN(C)C)c2)c1
InChIInChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)
InChIKeyQSJQTEGTURZDIY-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.25
Rot. Bonds7

About 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 130449315) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID130449315
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cccc(CCCN(C)C)c2)c1
InChIInChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)
InChIKeyQSJQTEGTURZDIY-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 130449315) is 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cccc(CCCN(C)C)c2)c1.
What is the InChIKey of 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is QSJQTEGTURZDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21).
What are the key properties of 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 297.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[3-(dimethylamino)propyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 130449315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).