6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine

C18H26N4 — CID 119081689

IUPAC6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(CCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)
InChIKeyTUAXAWZDVAYXFN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.65
Rot. Bonds7

About 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine

6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 119081689) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
PubChem CID119081689
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(CCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)
InChIKeyTUAXAWZDVAYXFN-UHFFFAOYSA-N
XLogP2.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (CID 119081689) is 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cncc(CCCN(C)C)c2)c1.
What is the InChIKey of 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is TUAXAWZDVAYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21).
What are the key properties of 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 298.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[3-(dimethylamino)propyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 119081689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).