(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine

C19H32N2O — CID 162860706

IUPAC(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine
SMILESCON=C[C@H](C)CCCCCCCCCCc1cccnc1
InChIInChI=1S/C19H32N2O/c1-18(16-21-22-2)12-9-7-5-3-4-6-8-10-13-19-14-11-15-20-17-19/h11,14-18H,3-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyXBNYSHFQNGMOSV-GOSISDBHSA-N
MW304.48 g/mol
LogP5.40
Rot. Bonds13

About (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine

(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine (PubChem CID 162860706) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine.

Molecular Properties

Compound Name(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine
PubChem CID162860706
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine
SMILESCON=C[C@H](C)CCCCCCCCCCc1cccnc1
InChIInChI=1S/C19H32N2O/c1-18(16-21-22-2)12-9-7-5-3-4-6-8-10-13-19-14-11-15-20-17-19/h11,14-18H,3-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyXBNYSHFQNGMOSV-GOSISDBHSA-N
XLogP5.40
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-3-methyl-12-pyridin-3-yldodecan-1-imine
CID 15735875
3-(14-methylpentadecyl)pyridine
CID 19697272
3-(5-methylhexyl)pyridine
CID 54316004
3-(9-methyldodecyl)pyridine
CID 91204403
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
8-pyridin-3-yloctan-1-ol
CID 11830623
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine?
The IUPAC name of (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine (CID 162860706) is (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine.
What is the SMILES notation for (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine?
The canonical SMILES for (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine is CON=C[C@H](C)CCCCCCCCCCc1cccnc1.
What is the InChIKey of (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine?
The InChIKey is XBNYSHFQNGMOSV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H32N2O/c1-18(16-21-22-2)12-9-7-5-3-4-6-8-10-13-19-14-11-15-20-17-19/h11,14-18H,3-10,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine?
(2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine has a molecular weight of 304.48 g/mol, XLogP of 5.40, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-2-methyl-12-pyridin-3-yldodecan-1-imine is sourced from PubChem (CID 162860706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).