3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine

C10H18N2 — CID 134312786

IUPAC3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1=CC=NCC1
InChIInChI=1S/C10H18N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyZVLQZUSGOJZJLE-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.63
Rot. Bonds4

About 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine

3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine (PubChem CID 134312786) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
PubChem CID134312786
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1=CC=NCC1
InChIInChI=1S/C10H18N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyZVLQZUSGOJZJLE-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 143782064
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 123156694
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
[2-(Azetidin-3-yl)-4-methylhex-4-en-3-ylidene]-methylideneazanium
CID 123518637
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine (CID 134312786) is 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine is CNCCC(C)C1=CC=NCC1.
What is the InChIKey of 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine?
The InChIKey is ZVLQZUSGOJZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(3-6-11-2)10-4-7-12-8-5-10/h4,7,9,11H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine?
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.63, 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-4-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 134312786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).