3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine

C9H16N2 — CID 123487173

IUPAC3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=CCCN=C1
InChIInChI=1S/C9H16N2/c1-10-6-2-4-9-5-3-7-11-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyMXGLELVCUPBWLD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds4

About 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine

3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine (PubChem CID 123487173) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
PubChem CID123487173
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=CCCN=C1
InChIInChI=1S/C9H16N2/c1-10-6-2-4-9-5-3-7-11-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyMXGLELVCUPBWLD-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-1-ium-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridin-1-ium
CID 134855943
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
CID 123937374
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
(E)-3-bromo-4-[3-(methylamino)propyliminomethyl]oct-4-en-1-amine
CID 134177610
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine (CID 123487173) is 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine is CNCCCC1=CCCN=C1.
What is the InChIKey of 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine?
The InChIKey is MXGLELVCUPBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-6-2-4-9-5-3-7-11-8-9/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine?
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 123487173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).