N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine

C13H20N2O — CID 114470543

IUPACN-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
SMILESC=C(C)CCOc1ncccc1CNCC
InChIInChI=1S/C13H20N2O/c1-4-14-10-12-6-5-8-15-13(12)16-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3
InChIKeyVRKZVRRNEGWFOS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.54
Rot. Bonds7

About N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 114470543) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID114470543
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
SMILESC=C(C)CCOc1ncccc1CNCC
InChIInChI=1S/C13H20N2O/c1-4-14-10-12-6-5-8-15-13(12)16-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3
InChIKeyVRKZVRRNEGWFOS-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine (CID 114470543) is N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine is C=C(C)CCOc1ncccc1CNCC.
What is the InChIKey of N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is VRKZVRRNEGWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-14-10-12-6-5-8-15-13(12)16-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3.
What are the key properties of N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114470543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).