(4-amino-3-ethylhexan-3-yl) acetate

C10H21NO2 — CID 88621990

IUPAC(4-amino-3-ethylhexan-3-yl) acetate
SMILESCCC(N)C(CC)(CC)OC(C)=O
InChIInChI=1S/C10H21NO2/c1-5-9(11)10(6-2,7-3)13-8(4)12/h9H,5-7,11H2,1-4H3
InChIKeyVZODHHNTCQEEND-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds5

About (4-amino-3-ethylhexan-3-yl) acetate

(4-amino-3-ethylhexan-3-yl) acetate (PubChem CID 88621990) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (4-amino-3-ethylhexan-3-yl) acetate.

Molecular Properties

Compound Name(4-amino-3-ethylhexan-3-yl) acetate
PubChem CID88621990
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(4-amino-3-ethylhexan-3-yl) acetate
SMILESCCC(N)C(CC)(CC)OC(C)=O
InChIInChI=1S/C10H21NO2/c1-5-9(11)10(6-2,7-3)13-8(4)12/h9H,5-7,11H2,1-4H3
InChIKeyVZODHHNTCQEEND-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-methylpentan-2-yl) acetate
CID 174797073
(1-acetyloxy-1,1-dihydroxybutan-2-yl) acetate
CID 21451125
(1-amino-2-methyl-1-oxobutan-2-yl) acetate
CID 87348306
3,3-dimethylpentan-2-yl acetate
CID 55253134
tert-butyl 2-[(R)-amino(hydroxy)methyl]butanoate
CID 87468995
2-[(E)-2-acetyloxybutan-2-yldiazenyl]butan-2-yl acetate
CID 6436690
(3-ethyl-4,4,5,5-tetramethylhexan-3-yl) acetate
CID 143331495
3-carbonochloridoylpentan-3-yl acetate
CID 15557603
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
2,3-diamino-2-methylpentanoic acid
CID 174904940
tert-butyl (2R)-2-aminobutanoate
CID 13283520
1-aminobutyl acetate
CID 22643639

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylhexan-3-yl) acetate?
The IUPAC name of (4-amino-3-ethylhexan-3-yl) acetate (CID 88621990) is (4-amino-3-ethylhexan-3-yl) acetate.
What is the SMILES notation for (4-amino-3-ethylhexan-3-yl) acetate?
The canonical SMILES for (4-amino-3-ethylhexan-3-yl) acetate is CCC(N)C(CC)(CC)OC(C)=O.
What is the InChIKey of (4-amino-3-ethylhexan-3-yl) acetate?
The InChIKey is VZODHHNTCQEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(11)10(6-2,7-3)13-8(4)12/h9H,5-7,11H2,1-4H3.
What are the key properties of (4-amino-3-ethylhexan-3-yl) acetate?
(4-amino-3-ethylhexan-3-yl) acetate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylhexan-3-yl) acetate is sourced from PubChem (CID 88621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).