1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine

C12H23N3 — CID 70032577

IUPAC1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine
SMILESCCNC1=CN(CCCN(C)C)CC=C1
InChIInChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7,11,13H,4,6,8-10H2,1-3H3
InChIKeyLGQPVKPWQRFGTH-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.26
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine

1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine (PubChem CID 70032577) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine
PubChem CID70032577
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine
SMILESCCNC1=CN(CCCN(C)C)CC=C1
InChIInChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7,11,13H,4,6,8-10H2,1-3H3
InChIKeyLGQPVKPWQRFGTH-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine (CID 70032577) is 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine is CCNC1=CN(CCCN(C)C)CC=C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine?
The InChIKey is LGQPVKPWQRFGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7,11,13H,4,6,8-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine?
1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine has a molecular weight of 209.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-5-amine is sourced from PubChem (CID 70032577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).