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

C17H33NO — CID 71154518

IUPAC6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one
SMILESCCNC(CC(C)(C)C1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-7-18-14(15(19)16(2,3)4)12-17(5,6)13-10-8-9-11-13/h13-14,18H,7-12H2,1-6H3
InChIKeySCJLFJRBOSSSJT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.19
Rot. Bonds6

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

6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one (PubChem CID 71154518) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one.

Molecular Properties

Compound Name6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one
PubChem CID71154518
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one
SMILESCCNC(CC(C)(C)C1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-7-18-14(15(19)16(2,3)4)12-17(5,6)13-10-8-9-11-13/h13-14,18H,7-12H2,1-6H3
InChIKeySCJLFJRBOSSSJT-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.19
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)-2,2,6-trimethylheptan-3-one?
The IUPAC name of 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one (CID 71154518) is 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one.
What is the SMILES notation for 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one?
The canonical SMILES for 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one is CCNC(CC(C)(C)C1CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one?
The InChIKey is SCJLFJRBOSSSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-18-14(15(19)16(2,3)4)12-17(5,6)13-10-8-9-11-13/h13-14,18H,7-12H2,1-6H3.
What are the key properties of 6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one?
6-cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one has a molecular weight of 267.46 g/mol, XLogP of 4.19, 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)-2,2,6-trimethylheptan-3-one is sourced from PubChem (CID 71154518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).