(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride

C14H26ClNO — CID 54605002

IUPAC(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(C)(CN(C)C)C1=O.Cl
InChIInChI=1S/C14H25NO.ClH/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4;/h8H,5-7,9-11H2,1-4H3;1H/b12-8+;
InChIKeyDYHOKRYYQYEUOC-MXZHIVQLSA-N
MW259.82 g/mol
LogP3.46
Rot. Bonds5

About (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride

(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride (PubChem CID 54605002) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride
PubChem CID54605002
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(C)(CN(C)C)C1=O.Cl
InChIInChI=1S/C14H25NO.ClH/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4;/h8H,5-7,9-11H2,1-4H3;1H/b12-8+;
InChIKeyDYHOKRYYQYEUOC-MXZHIVQLSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride (CID 54605002) is (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride is CCCC/C=C1\CCC(C)(CN(C)C)C1=O.Cl.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride?
The InChIKey is DYHOKRYYQYEUOC-MXZHIVQLSA-N. The full InChI is InChI=1S/C14H25NO.ClH/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4;/h8H,5-7,9-11H2,1-4H3;1H/b12-8+;.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride?
(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride is sourced from PubChem (CID 54605002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).