8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one

C14H30N2O — CID 20700963

IUPAC8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one
SMILESCC(C)NC(CCCCN(C)C)C(=O)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)14(17)13(15-12(3)4)9-7-8-10-16(5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyNJENIXGYJWTELK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.31
Rot. Bonds9

About 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one

8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one (PubChem CID 20700963) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one
PubChem CID20700963
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one
SMILESCC(C)NC(CCCCN(C)C)C(=O)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)14(17)13(15-12(3)4)9-7-8-10-16(5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyNJENIXGYJWTELK-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one?
The IUPAC name of 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one (CID 20700963) is 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one is CC(C)NC(CCCCN(C)C)C(=O)C(C)C.
What is the InChIKey of 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one?
The InChIKey is NJENIXGYJWTELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)14(17)13(15-12(3)4)9-7-8-10-16(5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one?
8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one has a molecular weight of 242.41 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one is sourced from PubChem (CID 20700963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).