2-amino-5-ethyl-3-methylheptan-4-one

C10H21NO — CID 116612382

IUPAC2-amino-5-ethyl-3-methylheptan-4-one
SMILESCCC(CC)C(=O)C(C)C(C)N
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7(3)8(4)11/h7-9H,5-6,11H2,1-4H3
InChIKeyPHRRORALHIDYQV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-5-ethyl-3-methylheptan-4-one

2-amino-5-ethyl-3-methylheptan-4-one (PubChem CID 116612382) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-amino-5-ethyl-3-methylheptan-4-one.

Molecular Properties

Compound Name2-amino-5-ethyl-3-methylheptan-4-one
PubChem CID116612382
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-amino-5-ethyl-3-methylheptan-4-one
SMILESCCC(CC)C(=O)C(C)C(C)N
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7(3)8(4)11/h7-9H,5-6,11H2,1-4H3
InChIKeyPHRRORALHIDYQV-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-diethyl-5-propan-2-ylnonane-4,6-dione
CID 19371371
(2S)-2-aminopropanoic acid;propane-1,1-diamine
CID 88729324
ethyl 3-amino-2-ethylbutanoate
CID 123616344
5-tert-butyl-3,7-diethylnonane-4,6-dione
CID 19371353
ethyl 2,3-dimethylpentanoate
CID 55255239
3-ethyl-2-oxopentanamide
CID 21120726
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725
3,5-diethylnonan-4-one
CID 115785527
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
5-amino-4-methyl-3-oxohexanamide
CID 123318073
3,5-bis(bromomethyl)heptan-4-one
CID 88762991

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-3-methylheptan-4-one?
The IUPAC name of 2-amino-5-ethyl-3-methylheptan-4-one (CID 116612382) is 2-amino-5-ethyl-3-methylheptan-4-one.
What is the SMILES notation for 2-amino-5-ethyl-3-methylheptan-4-one?
The canonical SMILES for 2-amino-5-ethyl-3-methylheptan-4-one is CCC(CC)C(=O)C(C)C(C)N.
What is the InChIKey of 2-amino-5-ethyl-3-methylheptan-4-one?
The InChIKey is PHRRORALHIDYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(6-2)10(12)7(3)8(4)11/h7-9H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-5-ethyl-3-methylheptan-4-one?
2-amino-5-ethyl-3-methylheptan-4-one has a molecular weight of 171.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-3-methylheptan-4-one is sourced from PubChem (CID 116612382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).