(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane

C19H38N2 — CID 156639157

IUPAC(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane
SMILESCC.CC/C=C\C(=N/C)C(C)(C)CCC1CNC(C)(C)C1
InChIInChI=1S/C17H32N2.C2H6/c1-7-8-9-15(18-6)16(2,3)11-10-14-12-17(4,5)19-13-14;1-2/h8-9,14,19H,7,10-13H2,1-6H3;1-2H3/b9-8-,18-15+;
InChIKeyUAPJNDNHXRUCHW-DIXJDCSJSA-N
MW294.53 g/mol
LogP5.24
Rot. Bonds6

About (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane

(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane (PubChem CID 156639157) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane.

Molecular Properties

Compound Name(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane
PubChem CID156639157
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane
SMILESCC.CC/C=C\C(=N/C)C(C)(C)CCC1CNC(C)(C)C1
InChIInChI=1S/C17H32N2.C2H6/c1-7-8-9-15(18-6)16(2,3)11-10-14-12-17(4,5)19-13-14;1-2/h8-9,14,19H,7,10-13H2,1-6H3;1-2H3/b9-8-,18-15+;
InChIKeyUAPJNDNHXRUCHW-DIXJDCSJSA-N
XLogP5.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane?
The IUPAC name of (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane (CID 156639157) is (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane.
What is the SMILES notation for (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane?
The canonical SMILES for (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane is CC.CC/C=C\C(=N/C)C(C)(C)CCC1CNC(C)(C)C1.
What is the InChIKey of (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane?
The InChIKey is UAPJNDNHXRUCHW-DIXJDCSJSA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-7-8-9-15(18-6)16(2,3)11-10-14-12-17(4,5)19-13-14;1-2/h8-9,14,19H,7,10-13H2,1-6H3;1-2H3/b9-8-,18-15+;.
What are the key properties of (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane?
(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane has a molecular weight of 294.53 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane is sourced from PubChem (CID 156639157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).