2-(ethylamino)-7-methyloctan-4-one

C11H23NO — CID 116566607

IUPAC2-(ethylamino)-7-methyloctan-4-one
SMILESCCNC(C)CC(=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-10(4)8-11(13)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyFFUFVLBCXJTWHW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds7

About 2-(ethylamino)-7-methyloctan-4-one

2-(ethylamino)-7-methyloctan-4-one (PubChem CID 116566607) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(ethylamino)-7-methyloctan-4-one.

Molecular Properties

Compound Name2-(ethylamino)-7-methyloctan-4-one
PubChem CID116566607
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(ethylamino)-7-methyloctan-4-one
SMILESCCNC(C)CC(=O)CCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-10(4)8-11(13)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyFFUFVLBCXJTWHW-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutyl 3-(ethylamino)butanoate
CID 62828197
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
6-(ethylamino)-2-methylhept-1-en-4-one
CID 116566821
6-(ethylamino)hept-1-yn-4-one
CID 116566586
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
3-(ethylamino)butanamide
CID 18792210
2,9-dimethyldecane-4,6-dione
CID 152780076
2-amino-7-methyloctan-4-one
CID 116555796
N-ethyl-5-methylhexan-2-amine
CID 24689543
2-methyltetradecan-5-one
CID 19931308
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7-methyloctan-4-one?
The IUPAC name of 2-(ethylamino)-7-methyloctan-4-one (CID 116566607) is 2-(ethylamino)-7-methyloctan-4-one.
What is the SMILES notation for 2-(ethylamino)-7-methyloctan-4-one?
The canonical SMILES for 2-(ethylamino)-7-methyloctan-4-one is CCNC(C)CC(=O)CCC(C)C.
What is the InChIKey of 2-(ethylamino)-7-methyloctan-4-one?
The InChIKey is FFUFVLBCXJTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-10(4)8-11(13)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(ethylamino)-7-methyloctan-4-one?
2-(ethylamino)-7-methyloctan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7-methyloctan-4-one is sourced from PubChem (CID 116566607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).