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

C13H20N2O — CID 105065658

IUPAC1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccncc1OC
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-12(14-2)11-8-9-15-10-13(11)16-3/h4,8-10,12,14H,1,5-7H2,2-3H3
InChIKeyVSBXPNQFBYBQSH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.71
Rot. Bonds7

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

1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine (PubChem CID 105065658) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
PubChem CID105065658
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccncc1OC
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-12(14-2)11-8-9-15-10-13(11)16-3/h4,8-10,12,14H,1,5-7H2,2-3H3
InChIKeyVSBXPNQFBYBQSH-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
1-(3-methyl-4-pyridinyl)hex-5-enylhydrazine
CID 105261752
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
1-(4-methyl-3-pyridinyl)hex-5-enylhydrazine
CID 105279755
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
1-(3-methoxy-4-pyridinyl)prop-2-enylhydrazine
CID 105318105
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine (CID 105065658) is 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1ccncc1OC.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine?
The InChIKey is VSBXPNQFBYBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-6-7-12(14-2)11-8-9-15-10-13(11)16-3/h4,8-10,12,14H,1,5-7H2,2-3H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine?
1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 105065658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).