(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one

C14H27NO — CID 88972149

IUPAC(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
SMILESC=C(CCCC(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C14H27NO/c1-10(2)7-6-8-12(5)14(16)13(15)9-11(3)4/h10-11,13H,5-9,15H2,1-4H3/t13-/m1/s1
InChIKeyHYNVVPCFIMAZKR-CYBMUJFWSA-N
MW225.38 g/mol
LogP3.31
Rot. Bonds8

About (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one

(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one (PubChem CID 88972149) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one.

Molecular Properties

Compound Name(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
PubChem CID88972149
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
SMILESC=C(CCCC(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C14H27NO/c1-10(2)7-6-8-12(5)14(16)13(15)9-11(3)4/h10-11,13H,5-9,15H2,1-4H3/t13-/m1/s1
InChIKeyHYNVVPCFIMAZKR-CYBMUJFWSA-N
XLogP3.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.31
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 (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one?
The IUPAC name of (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one (CID 88972149) is (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one.
What is the SMILES notation for (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one?
The canonical SMILES for (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one is C=C(CCCC(C)C)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one?
The InChIKey is HYNVVPCFIMAZKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)7-6-8-12(5)14(16)13(15)9-11(3)4/h10-11,13H,5-9,15H2,1-4H3/t13-/m1/s1.
What are the key properties of (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one?
(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one has a molecular weight of 225.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one is sourced from PubChem (CID 88972149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).