1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine

C9H16N2 — CID 142884393

IUPAC1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1=CN=CCC1
InChIInChI=1S/C9H16N2/c1-3-9(10-2)8-5-4-6-11-7-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyKESWOXVRBDJVAW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds3

About 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine

1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine (PubChem CID 142884393) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
PubChem CID142884393
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1=CN=CCC1
InChIInChI=1S/C9H16N2/c1-3-9(10-2)8-5-4-6-11-7-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyKESWOXVRBDJVAW-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426938
(1R)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426953
N-methyl-3-(3H-pyrrol-4-yl)propan-1-amine
CID 58455185
5-Methyl-2-pentyl-1,2-dihydropyrazine
CID 70235099
(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine
CID 70253838
2-(1,2,3,4-Tetrahydropyridin-5-yl)-2,3,4,5-tetrahydropyridine
CID 91440913
1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine
CID 123595616
1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
CID 123878687
(2S)-3-methyl-2-[(2S)-2-propan-2-yl-1,2-dihydroazet-3-yl]-2,3-dihydroazete
CID 130470635
(3E)-6-N-tert-butyl-3-[(methylideneamino)methylidene]heptane-1,6-diamine
CID 132205066
ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
CID 142070283
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine (CID 142884393) is 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine is CCC(NC)C1=CN=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The InChIKey is KESWOXVRBDJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9(10-2)8-5-4-6-11-7-8/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine?
1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 142884393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).