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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Related Compounds

N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57021708
1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
1,2,3,5,8,8a-Hexahydro-1,6-naphthyridine
CID 90884865
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
4-[[Ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
CID 91308930
1,2,3,7,8,8a-Hexahydro-1,6-naphthyridine
CID 91370128
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753

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).