(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one

C15H27NO — CID 170678320

IUPAC(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C(/NC1CCCCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-13,16H,5-9H2,1-4H3/b14-10+
InChIKeyMVTUMCIWOZONGB-GXDHUFHOSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds5

About (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one

(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one (PubChem CID 170678320) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one
PubChem CID170678320
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C(/NC1CCCCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-13,16H,5-9H2,1-4H3/b14-10+
InChIKeyMVTUMCIWOZONGB-GXDHUFHOSA-N
XLogP3.67
TPSA29.10 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one (CID 170678320) is (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one is CC(C)C(=O)/C=C(/NC1CCCCC1)C(C)C.
What is the InChIKey of (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one?
The InChIKey is MVTUMCIWOZONGB-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-13,16H,5-9H2,1-4H3/b14-10+.
What are the key properties of (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one?
(E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one has a molecular weight of 237.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(cyclohexylamino)-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 170678320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).