N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine

C9H16N2 — CID 89030889

IUPACN-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
SMILESCCNCC1=CC=NC(C)C1
InChIInChI=1S/C9H16N2/c1-3-10-7-9-4-5-11-8(2)6-9/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyBDDOOHLDGJLSCX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds3

About N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine

N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine (PubChem CID 89030889) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
PubChem CID89030889
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
SMILESCCNCC1=CC=NC(C)C1
InChIInChI=1S/C9H16N2/c1-3-10-7-9-4-5-11-8(2)6-9/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyBDDOOHLDGJLSCX-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine (CID 89030889) is N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine is CCNCC1=CC=NC(C)C1.
What is the InChIKey of N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine?
The InChIKey is BDDOOHLDGJLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-10-7-9-4-5-11-8(2)6-9/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine?
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine is sourced from PubChem (CID 89030889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).