2-methyl-2-(methylamino)heptan-3-one

C9H19NO — CID 116566324

IUPAC2-methyl-2-(methylamino)heptan-3-one
SMILESCCCCC(=O)C(C)(C)NC
InChIInChI=1S/C9H19NO/c1-5-6-7-8(11)9(2,3)10-4/h10H,5-7H2,1-4H3
InChIKeyVYNJCEXLXDPIER-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-2-(methylamino)heptan-3-one

2-methyl-2-(methylamino)heptan-3-one (PubChem CID 116566324) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)heptan-3-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)heptan-3-one
PubChem CID116566324
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-2-(methylamino)heptan-3-one
SMILESCCCCC(=O)C(C)(C)NC
InChIInChI=1S/C9H19NO/c1-5-6-7-8(11)9(2,3)10-4/h10H,5-7H2,1-4H3
InChIKeyVYNJCEXLXDPIER-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
1-hydroxy-3-methyl-3-(methylamino)butan-2-one
CID 155655031
1-chloro-3-methyl-3-(methylamino)butan-2-one
CID 159365192
1,1,1-tribromohexan-2-one
CID 154116668
sodium;hydride;2-methyl-2-(methylamino)-3-oxotetradecanoic acid
CID 175418623
hexyl 2-methyl-2-(methylamino)propanoate
CID 62821057
1,1-difluoro-1-iodohexan-2-one
CID 10422794
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
hexadecyl 2-methyl-2-(methylamino)-3-oxohexadecanoate
CID 175291698
6,6,9-trimethyldec-8-en-5-one
CID 59350132
3-ethoxy-3-methyloctan-4-one
CID 116747000
2-fluoro-2-methyldecan-3-one
CID 14645302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)heptan-3-one?
The IUPAC name of 2-methyl-2-(methylamino)heptan-3-one (CID 116566324) is 2-methyl-2-(methylamino)heptan-3-one.
What is the SMILES notation for 2-methyl-2-(methylamino)heptan-3-one?
The canonical SMILES for 2-methyl-2-(methylamino)heptan-3-one is CCCCC(=O)C(C)(C)NC.
What is the InChIKey of 2-methyl-2-(methylamino)heptan-3-one?
The InChIKey is VYNJCEXLXDPIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-8(11)9(2,3)10-4/h10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)heptan-3-one?
2-methyl-2-(methylamino)heptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)heptan-3-one is sourced from PubChem (CID 116566324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).