(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine

C16H28N2O — CID 177391876

IUPAC(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
SMILESC/C=C/C=C/CCCC/C=N/N1CCC[C@@H]1COC
InChIInChI=1S/C16H28N2O/c1-3-4-5-6-7-8-9-10-13-17-18-14-11-12-16(18)15-19-2/h3-6,13,16H,7-12,14-15H2,1-2H3/b4-3+,6-5+,17-13+/t16-/m1/s1
InChIKeyDONVRIMXYJBBCW-QNYJWHIJSA-N
MW264.41 g/mol
LogP3.78
Rot. Bonds9

About (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine

(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine (PubChem CID 177391876) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine.

Molecular Properties

Compound Name(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
PubChem CID177391876
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
SMILESC/C=C/C=C/CCCC/C=N/N1CCC[C@@H]1COC
InChIInChI=1S/C16H28N2O/c1-3-4-5-6-7-8-9-10-13-17-18-14-11-12-16(18)15-19-2/h3-6,13,16H,7-12,14-15H2,1-2H3/b4-3+,6-5+,17-13+/t16-/m1/s1
InChIKeyDONVRIMXYJBBCW-QNYJWHIJSA-N
XLogP3.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.78
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(E,E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-imine
CID 177407968
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712
(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
CID 11128124
(E,3S)-3-[(Z)-dodec-9-enyl]sulfanyl-1,1,1-trifluoro-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 102079963
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(3S,4R)-4-[(E)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminomethyl]-3-propyloxan-2-one
CID 11832884

Frequently Asked Questions

What is the IUPAC name of (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine?
The IUPAC name of (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine (CID 177391876) is (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine.
What is the SMILES notation for (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine?
The canonical SMILES for (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine is C/C=C/C=C/CCCC/C=N/N1CCC[C@@H]1COC.
What is the InChIKey of (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine?
The InChIKey is DONVRIMXYJBBCW-QNYJWHIJSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-5-6-7-8-9-10-13-17-18-14-11-12-16(18)15-19-2/h3-6,13,16H,7-12,14-15H2,1-2H3/b4-3+,6-5+,17-13+/t16-/m1/s1.
What are the key properties of (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine?
(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine has a molecular weight of 264.41 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine is sourced from PubChem (CID 177391876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).