4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one

C15H29NO2 — CID 71154697

IUPAC4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one
SMILESCCNC(CCC1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-16-13(14(17)15(2,3)4)7-6-12-8-10-18-11-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeySUISOWVJJLBDGF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.79
Rot. Bonds6

About 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one

4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one (PubChem CID 71154697) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one.

Molecular Properties

Compound Name4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one
PubChem CID71154697
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one
SMILESCCNC(CCC1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-16-13(14(17)15(2,3)4)7-6-12-8-10-18-11-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeySUISOWVJJLBDGF-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one?
The IUPAC name of 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one (CID 71154697) is 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one.
What is the SMILES notation for 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one?
The canonical SMILES for 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one is CCNC(CCC1CCOCC1)C(=O)C(C)(C)C.
What is the InChIKey of 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one?
The InChIKey is SUISOWVJJLBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-16-13(14(17)15(2,3)4)7-6-12-8-10-18-11-9-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one?
4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,2-dimethyl-6-(oxan-4-yl)hexan-3-one is sourced from PubChem (CID 71154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).