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

C10H18N2 — CID 156796719

IUPAC3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1=NC=CCC1
InChIInChI=1S/C10H18N2/c1-9(6-8-11-2)10-5-3-4-7-12-10/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyPOZJINAUHBAXBZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.98
Rot. Bonds4

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

3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine (PubChem CID 156796719) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine
PubChem CID156796719
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1=NC=CCC1
InChIInChI=1S/C10H18N2/c1-9(6-8-11-2)10-5-3-4-7-12-10/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyPOZJINAUHBAXBZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine (CID 156796719) is 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine is CNCCC(C)C1=NC=CCC1.
What is the InChIKey of 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine?
The InChIKey is POZJINAUHBAXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(6-8-11-2)10-5-3-4-7-12-10/h4,7,9,11H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine?
3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 156796719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).