5-amino-5-ethyl-2-methylheptan-4-one

C10H21NO — CID 116592612

IUPAC5-amino-5-ethyl-2-methylheptan-4-one
SMILESCCC(N)(CC)C(=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(11,6-2)9(12)7-8(3)4/h8H,5-7,11H2,1-4H3
InChIKeyDOPKUMWDMFWUSJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds5

About 5-amino-5-ethyl-2-methylheptan-4-one

5-amino-5-ethyl-2-methylheptan-4-one (PubChem CID 116592612) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-amino-5-ethyl-2-methylheptan-4-one.

Molecular Properties

Compound Name5-amino-5-ethyl-2-methylheptan-4-one
PubChem CID116592612
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-amino-5-ethyl-2-methylheptan-4-one
SMILESCCC(N)(CC)C(=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(11,6-2)9(12)7-8(3)4/h8H,5-7,11H2,1-4H3
InChIKeyDOPKUMWDMFWUSJ-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-ethyl-8-methylnonan-4-one
CID 116592714
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
4-amino-4-ethyl-2,2,6-trimethylheptan-3-one
CID 167343881
5-amino-5-ethyl-2-methylhept-1-en-4-one
CID 116592784
2-amino-2-ethylbutanamide;ethane
CID 176999268
ethyl 3,3,6-trimethyl-4-oxoheptanoate
CID 58823823
3-methylbutanamide
CID 87933309
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
carbonic acid;propan-2-yl 2,2-diethyl-5-methyl-3-oxohexanoate
CID 175002974
2,5-dimethyl-5-piperidin-1-ylheptan-4-one
CID 79064976

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-ethyl-2-methylheptan-4-one?
The IUPAC name of 5-amino-5-ethyl-2-methylheptan-4-one (CID 116592612) is 5-amino-5-ethyl-2-methylheptan-4-one.
What is the SMILES notation for 5-amino-5-ethyl-2-methylheptan-4-one?
The canonical SMILES for 5-amino-5-ethyl-2-methylheptan-4-one is CCC(N)(CC)C(=O)CC(C)C.
What is the InChIKey of 5-amino-5-ethyl-2-methylheptan-4-one?
The InChIKey is DOPKUMWDMFWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(11,6-2)9(12)7-8(3)4/h8H,5-7,11H2,1-4H3.
What are the key properties of 5-amino-5-ethyl-2-methylheptan-4-one?
5-amino-5-ethyl-2-methylheptan-4-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-ethyl-2-methylheptan-4-one is sourced from PubChem (CID 116592612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).