6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one

C15H29NO — CID 71154573

IUPAC6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one
SMILESCCNC(CC(C)(C)C1CCCC1)C(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-15(3,4)12-9-7-8-10-12/h12-13,16H,5-11H2,1-4H3
InChIKeyGPAFLBZUSSPELV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds7

About 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one

6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one (PubChem CID 71154573) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one.

Molecular Properties

Compound Name6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one
PubChem CID71154573
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one
SMILESCCNC(CC(C)(C)C1CCCC1)C(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-15(3,4)12-9-7-8-10-12/h12-13,16H,5-11H2,1-4H3
InChIKeyGPAFLBZUSSPELV-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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)-6-methylheptan-3-one?
The IUPAC name of 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one (CID 71154573) is 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one.
What is the SMILES notation for 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one?
The canonical SMILES for 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one is CCNC(CC(C)(C)C1CCCC1)C(=O)CC.
What is the InChIKey of 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one?
The InChIKey is GPAFLBZUSSPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-15(3,4)12-9-7-8-10-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one?
6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-(ethylamino)-6-methylheptan-3-one is sourced from PubChem (CID 71154573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).