(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one

C19H31NO — CID 2313966

IUPAC(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31NO/c21-19-14-8-7-9-16(19)15-20(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h15,17-18H,1-14H2/b16-15+
InChIKeySHYPKWJGLFOPFM-FOCLMDBBSA-N
MW289.46 g/mol
LogP4.98
Rot. Bonds3

About (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one

(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one (PubChem CID 2313966) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one
PubChem CID2313966
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31NO/c21-19-14-8-7-9-16(19)15-20(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h15,17-18H,1-14H2/b16-15+
InChIKeySHYPKWJGLFOPFM-FOCLMDBBSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
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 (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one (CID 2313966) is (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one is O=C1CCCC/C1=C\N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one?
The InChIKey is SHYPKWJGLFOPFM-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H31NO/c21-19-14-8-7-9-16(19)15-20(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h15,17-18H,1-14H2/b16-15+.
What are the key properties of (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one?
(2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one has a molecular weight of 289.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(dicyclohexylamino)methylidene]cyclohexan-1-one is sourced from PubChem (CID 2313966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).