1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine

C16H26N2 — CID 107009639

IUPAC1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ncc(C)cc1C
InChIInChI=1S/C16H26N2/c1-5-6-7-8-9-10-15(17-4)16-14(3)11-13(2)12-18-16/h5,11-12,15,17H,1,6-10H2,2-4H3
InChIKeyJZOWAPUMFOGWGF-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.10
Rot. Bonds8

About 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine

1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine (PubChem CID 107009639) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
PubChem CID107009639
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ncc(C)cc1C
InChIInChI=1S/C16H26N2/c1-5-6-7-8-9-10-15(17-4)16-14(3)11-13(2)12-18-16/h5,11-12,15,17H,1,6-10H2,2-4H3
InChIKeyJZOWAPUMFOGWGF-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,6-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 114269406
N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009654
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
N-methyl-1-(6-methyl-3-pyridinyl)hex-5-en-1-amine
CID 105153170
1-(3,5-dichloro-2-pyridinyl)oct-7-enylhydrazine
CID 107012565
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
N-methyl-1-(1-methylpyrazol-3-yl)oct-7-en-1-amine
CID 107009195
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
CID 105266423

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine (CID 107009639) is 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine?
The InChIKey is JZOWAPUMFOGWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-6-7-8-9-10-15(17-4)16-14(3)11-13(2)12-18-16/h5,11-12,15,17H,1,6-10H2,2-4H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine?
1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).