N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine

C14H22N2O — CID 105065659

IUPACN-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1ccncc1OC
InChIInChI=1S/C14H22N2O/c1-4-6-7-8-13(16-5-2)12-9-10-15-11-14(12)17-3/h4,9-11,13,16H,1,5-8H2,2-3H3
InChIKeyYKGAGZPLCOABIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.10
Rot. Bonds8

About N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine

N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine (PubChem CID 105065659) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
PubChem CID105065659
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1ccncc1OC
InChIInChI=1S/C14H22N2O/c1-4-6-7-8-13(16-5-2)12-9-10-15-11-14(12)17-3/h4,9-11,13,16H,1,5-8H2,2-3H3
InChIKeyYKGAGZPLCOABIM-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
CID 105065658
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-ethyl-1-(3-methoxy-4-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105065449
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394
1-(3-methyl-4-pyridinyl)hex-5-enylhydrazine
CID 105261752
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine (CID 105065659) is N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine is C=CCCCC(NCC)c1ccncc1OC.
What is the InChIKey of N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine?
The InChIKey is YKGAGZPLCOABIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-7-8-13(16-5-2)12-9-10-15-11-14(12)17-3/h4,9-11,13,16H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine?
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine has a molecular weight of 234.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine is sourced from PubChem (CID 105065659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).