N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen

C9H18N2 — CID 177244016

IUPACN-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen
SMILESCCNCC1=NCC(C)C=C1.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-3-10-7-9-5-4-8(2)6-11-9;/h4-5,8,10H,3,6-7H2,1-2H3;1H
InChIKeyAHRNMYQANKVFKC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.49
Rot. Bonds3

About N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen

N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen (PubChem CID 177244016) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen
PubChem CID177244016
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen
SMILESCCNCC1=NCC(C)C=C1.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-3-10-7-9-5-4-8(2)6-11-9;/h4-5,8,10H,3,6-7H2,1-2H3;1H
InChIKeyAHRNMYQANKVFKC-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-phenyl-2,3-dihydropyridine
CID 142097039
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
CID 71476444
N-[(4,6-dicyclopropylpyrimidin-2-yl)methyl]ethanamine
CID 63319052
N-[[5-(3,5-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]ethanamine
CID 107382222
N-(3H-pyrrol-4-ylmethyl)ethanamine
CID 118908241
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
N-(3H-azepin-5-ylmethyl)ethanamine
CID 142849061
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
CID 123584531
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380493

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen?
The IUPAC name of N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen (CID 177244016) is N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen.
What is the SMILES notation for N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen?
The canonical SMILES for N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen is CCNCC1=NCC(C)C=C1.[H][H].
What is the InChIKey of N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen?
The InChIKey is AHRNMYQANKVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.H2/c1-3-10-7-9-5-4-8(2)6-11-9;/h4-5,8,10H,3,6-7H2,1-2H3;1H.
What are the key properties of N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen?
N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen has a molecular weight of 154.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 177244016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).