(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one

C15H31NO — CID 163455500

IUPAC(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one
SMILESCCCN[C@H](CC(C)C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H31NO/c1-8-9-16-13(10-11(2)3)14(17)15(6,7)12(4)5/h11-13,16H,8-10H2,1-7H3/t13-/m1/s1
InChIKeyBKCVQIBDPXODKN-CYBMUJFWSA-N
MW241.42 g/mol
LogP3.65
Rot. Bonds8

About (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one

(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one (PubChem CID 163455500) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one.

Molecular Properties

Compound Name(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one
PubChem CID163455500
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one
SMILESCCCN[C@H](CC(C)C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H31NO/c1-8-9-16-13(10-11(2)3)14(17)15(6,7)12(4)5/h11-13,16H,8-10H2,1-7H3/t13-/m1/s1
InChIKeyBKCVQIBDPXODKN-CYBMUJFWSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one?
The IUPAC name of (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one (CID 163455500) is (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one.
What is the SMILES notation for (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one?
The canonical SMILES for (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one is CCCN[C@H](CC(C)C)C(=O)C(C)(C)C(C)C.
What is the InChIKey of (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one?
The InChIKey is BKCVQIBDPXODKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-9-16-13(10-11(2)3)14(17)15(6,7)12(4)5/h11-13,16H,8-10H2,1-7H3/t13-/m1/s1.
What are the key properties of (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one?
(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one has a molecular weight of 241.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one is sourced from PubChem (CID 163455500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).