(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane

C15H27NO — CID 134342655

IUPAC(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane
SMILESC=C1NC(C)CCC/C1=C/[C@@H](CC)OCCC
InChIInChI=1S/C15H27NO/c1-5-10-17-15(6-2)11-14-9-7-8-12(3)16-13(14)4/h11-12,15-16H,4-10H2,1-3H3/b14-11-/t12?,15-/m1/s1
InChIKeyGYCSSSKWSUPSDV-RNBORMMASA-N
MW237.39 g/mol
LogP3.79
Rot. Bonds5

About (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane

(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane (PubChem CID 134342655) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane.

Molecular Properties

Compound Name(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane
PubChem CID134342655
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane
SMILESC=C1NC(C)CCC/C1=C/[C@@H](CC)OCCC
InChIInChI=1S/C15H27NO/c1-5-10-17-15(6-2)11-14-9-7-8-12(3)16-13(14)4/h11-12,15-16H,4-10H2,1-3H3/b14-11-/t12?,15-/m1/s1
InChIKeyGYCSSSKWSUPSDV-RNBORMMASA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane?
The IUPAC name of (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane (CID 134342655) is (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane.
What is the SMILES notation for (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane?
The canonical SMILES for (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane is C=C1NC(C)CCC/C1=C/[C@@H](CC)OCCC.
What is the InChIKey of (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane?
The InChIKey is GYCSSSKWSUPSDV-RNBORMMASA-N. The full InChI is InChI=1S/C15H27NO/c1-5-10-17-15(6-2)11-14-9-7-8-12(3)16-13(14)4/h11-12,15-16H,4-10H2,1-3H3/b14-11-/t12?,15-/m1/s1.
What are the key properties of (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane?
(3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane has a molecular weight of 237.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-methyl-2-methylidene-3-[(2R)-2-propoxybutylidene]azepane is sourced from PubChem (CID 134342655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).