3-amino-3-butylheptan-2-one

C11H23NO — CID 59925813

IUPAC3-amino-3-butylheptan-2-one
SMILESCCCCC(N)(CCCC)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-6-8-11(12,10(3)13)9-7-5-2/h4-9,12H2,1-3H3
InChIKeyYAHYTOYUFBGXMD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.65
Rot. Bonds7

About 3-amino-3-butylheptan-2-one

3-amino-3-butylheptan-2-one (PubChem CID 59925813) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-3-butylheptan-2-one.

Molecular Properties

Compound Name3-amino-3-butylheptan-2-one
PubChem CID59925813
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-3-butylheptan-2-one
SMILESCCCCC(N)(CCCC)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-6-8-11(12,10(3)13)9-7-5-2/h4-9,12H2,1-3H3
InChIKeyYAHYTOYUFBGXMD-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
3-butyl-3-hydroxyheptan-2-one
CID 11521205
2-amino-2-octadecylicosanoic acid
CID 18935913
sulfino 2-amino-2-butylhexanoate
CID 59925768
2-amino-2-benzylhexanamide
CID 174812463
3-hydroxy-3-(hydroxymethyl)heptan-2-one
CID 118643161
5-buta-1,3-dien-2-ylnonan-5-amine
CID 90407495
4-amino-4-methyloctan-3-one
CID 158308473
ethyl (2S)-2-acetyl-2-methylhexanoate
CID 10679537
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
3-amino-3-methylheptanoic acid
CID 53262232
3-methoxy-3-methylheptan-2-one
CID 87290850

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-butylheptan-2-one?
The IUPAC name of 3-amino-3-butylheptan-2-one (CID 59925813) is 3-amino-3-butylheptan-2-one.
What is the SMILES notation for 3-amino-3-butylheptan-2-one?
The canonical SMILES for 3-amino-3-butylheptan-2-one is CCCCC(N)(CCCC)C(C)=O.
What is the InChIKey of 3-amino-3-butylheptan-2-one?
The InChIKey is YAHYTOYUFBGXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-8-11(12,10(3)13)9-7-5-2/h4-9,12H2,1-3H3.
What are the key properties of 3-amino-3-butylheptan-2-one?
3-amino-3-butylheptan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-butylheptan-2-one is sourced from PubChem (CID 59925813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).