7-[methyl(propan-2-yl)amino]heptan-2-one

C11H23NO — CID 166554593

IUPAC7-[methyl(propan-2-yl)amino]heptan-2-one
SMILESCC(=O)CCCCCN(C)C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)12(4)9-7-5-6-8-11(3)13/h10H,5-9H2,1-4H3
InChIKeyYWACNVUWDACOPH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds7

About 7-[methyl(propan-2-yl)amino]heptan-2-one

7-[methyl(propan-2-yl)amino]heptan-2-one (PubChem CID 166554593) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 7-[methyl(propan-2-yl)amino]heptan-2-one.

Molecular Properties

Compound Name7-[methyl(propan-2-yl)amino]heptan-2-one
PubChem CID166554593
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name7-[methyl(propan-2-yl)amino]heptan-2-one
SMILESCC(=O)CCCCCN(C)C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)12(4)9-7-5-6-8-11(3)13/h10H,5-9H2,1-4H3
InChIKeyYWACNVUWDACOPH-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
N-dimethyl-N-(7-oxooctyl)boronamidic acid
CID 20759757
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 156837141
7-[methoxymethyl(methyl)amino]heptan-2-one
CID 164746042
N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine
CID 166800635
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
14-methylpentadecane-2,13-dione
CID 88544438

Frequently Asked Questions

What is the IUPAC name of 7-[methyl(propan-2-yl)amino]heptan-2-one?
The IUPAC name of 7-[methyl(propan-2-yl)amino]heptan-2-one (CID 166554593) is 7-[methyl(propan-2-yl)amino]heptan-2-one.
What is the SMILES notation for 7-[methyl(propan-2-yl)amino]heptan-2-one?
The canonical SMILES for 7-[methyl(propan-2-yl)amino]heptan-2-one is CC(=O)CCCCCN(C)C(C)C.
What is the InChIKey of 7-[methyl(propan-2-yl)amino]heptan-2-one?
The InChIKey is YWACNVUWDACOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)12(4)9-7-5-6-8-11(3)13/h10H,5-9H2,1-4H3.
What are the key properties of 7-[methyl(propan-2-yl)amino]heptan-2-one?
7-[methyl(propan-2-yl)amino]heptan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl(propan-2-yl)amino]heptan-2-one is sourced from PubChem (CID 166554593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).