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

C12H23N3 — CID 23004048

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

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

1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine (PubChem CID 23004048) 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-3-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine
PubChem CID23004048
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine
SMILESCCNC1=CC=CN(CCCN(C)C)C1
InChIInChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7,9,13H,4,6,8,10-11H2,1-3H3
InChIKeyKWZNMJYVZPIECV-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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Related Compounds

7,10-Diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
CID 16760137
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CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
N'-butan-2-yl-N'-[(3Z)-5-fluoropenta-1,3-dien-2-yl]ethane-1,2-diamine
CID 166785642
N-ethyl-2-fluoro-1,2-dihydropyridin-3-amine
CID 173058126
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191
N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine
CID 163599181
1-hexyl-2H-pyridin-3-amine
CID 17861066
N-propan-2-yl-1,2-dihydropyridin-4-amine
CID 17873304
1-(3-piperazin-1-ylpropyl)-2H-pyridin-4-amine
CID 19068117
1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine
CID 19417919
2,6-dihydro-1H-pyrido[1,2-a]pyrazine
CID 19778079

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine (CID 23004048) is 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine is CCNC1=CC=CN(CCCN(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine?
The InChIKey is KWZNMJYVZPIECV-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/h5,7,9,13H,4,6,8,10-11H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine?
1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-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-3-amine is sourced from PubChem (CID 23004048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).