3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine

C19H32N4 — CID 134344412

IUPAC3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine
SMILESCNCCCN1C=CC(C2=CCN(CCCN(C)C)C=C2)=CC1
InChIInChI=1S/C19H32N4/c1-20-10-4-12-22-14-6-18(7-15-22)19-8-16-23(17-9-19)13-5-11-21(2)3/h6-9,14,16,20H,4-5,10-13,15,17H2,1-3H3
InChIKeyUZMVNIBNODIKPS-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.06
Rot. Bonds9

About 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine

3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine (PubChem CID 134344412) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine
PubChem CID134344412
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine
SMILESCNCCCN1C=CC(C2=CCN(CCCN(C)C)C=C2)=CC1
InChIInChI=1S/C19H32N4/c1-20-10-4-12-22-14-6-18(7-15-22)19-8-16-23(17-9-19)13-5-11-21(2)3/h6-9,14,16,20H,4-5,10-13,15,17H2,1-3H3
InChIKeyUZMVNIBNODIKPS-UHFFFAOYSA-N
XLogP2.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine (CID 134344412) is 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine is CNCCCN1C=CC(C2=CCN(CCCN(C)C)C=C2)=CC1.
What is the InChIKey of 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine?
The InChIKey is UZMVNIBNODIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-20-10-4-12-22-14-6-18(7-15-22)19-8-16-23(17-9-19)13-5-11-21(2)3/h6-9,14,16,20H,4-5,10-13,15,17H2,1-3H3.
What are the key properties of 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine?
3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[3-(dimethylamino)propyl]-2H-pyridin-4-yl]-2H-pyridin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 134344412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).