6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one

C15H29NO — CID 71154734

IUPAC6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one
SMILESCCNC(CCC1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-5-16-13(14(17)15(2,3)4)11-10-12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyNHJVXKPTKWWCBW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds6

About 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one

6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one (PubChem CID 71154734) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one
PubChem CID71154734
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one
SMILESCCNC(CCC1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-5-16-13(14(17)15(2,3)4)11-10-12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyNHJVXKPTKWWCBW-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one?
The IUPAC name of 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one (CID 71154734) is 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one.
What is the SMILES notation for 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one?
The canonical SMILES for 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one is CCNC(CCC1CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one?
The InChIKey is NHJVXKPTKWWCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-13(14(17)15(2,3)4)11-10-12-8-6-7-9-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one?
6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one is sourced from PubChem (CID 71154734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).