1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one

C16H34N2O2 — CID 160945987

IUPAC1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one
SMILESCCC(=O)C(C)CN(C)C.CCC(=O)[C@@H](C)CN(C)C
InChIInChI=1S/2C8H17NO/c2*1-5-8(10)7(2)6-9(3)4/h2*7H,5-6H2,1-4H3/t7-;/m0./s1
InChIKeySVCPEZFCTYPAFG-FJXQXJEOSA-N
MW286.46 g/mol
LogP2.33
Rot. Bonds8

About 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one

1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one (PubChem CID 160945987) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one
PubChem CID160945987
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one
SMILESCCC(=O)C(C)CN(C)C.CCC(=O)[C@@H](C)CN(C)C
InChIInChI=1S/2C8H17NO/c2*1-5-8(10)7(2)6-9(3)4/h2*7H,5-6H2,1-4H3/t7-;/m0./s1
InChIKeySVCPEZFCTYPAFG-FJXQXJEOSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-methylheptan-3-one
CID 12696684
4-methyloct-6-en-3-one
CID 73301984
3-(dimethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 18678958
2-[2-hydroxypropyl(methyl)amino]pentan-3-one
CID 64866283
4-methyloctane-3,6-dione
CID 14711976
N,N,2-trimethyl-3-oxopentanamide
CID 11205913
4-methyl-6-(3-methylbutoxy)hexan-3-one
CID 63550352
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
1-(dimethylamino)propan-2-yl butanoate
CID 23423565
23-[(dimethylamino)methyl]pentatetracontane-22,24-dione
CID 141463289
aluminum;2-methylpentan-3-one;triiodide
CID 163663533
2-aminopentan-3-one
CID 10986165

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one?
The IUPAC name of 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one (CID 160945987) is 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one.
What is the SMILES notation for 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one?
The canonical SMILES for 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one is CCC(=O)C(C)CN(C)C.CCC(=O)[C@@H](C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one?
The InChIKey is SVCPEZFCTYPAFG-FJXQXJEOSA-N. The full InChI is InChI=1S/2C8H17NO/c2*1-5-8(10)7(2)6-9(3)4/h2*7H,5-6H2,1-4H3/t7-;/m0./s1.
What are the key properties of 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one?
1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one has a molecular weight of 286.46 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one is sourced from PubChem (CID 160945987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).