1-(tert-butylamino)nonan-2-one

C13H27NO — CID 116588806

IUPAC1-(tert-butylamino)nonan-2-one
SMILESCCCCCCCC(=O)CNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-6-7-8-9-10-12(15)11-14-13(2,3)4/h14H,5-11H2,1-4H3
InChIKeyDKWXLLXIZKOJHC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.30
Rot. Bonds8

About 1-(tert-butylamino)nonan-2-one

1-(tert-butylamino)nonan-2-one (PubChem CID 116588806) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(tert-butylamino)nonan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)nonan-2-one
PubChem CID116588806
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(tert-butylamino)nonan-2-one
SMILESCCCCCCCC(=O)CNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-6-7-8-9-10-12(15)11-14-13(2,3)4/h14H,5-11H2,1-4H3
InChIKeyDKWXLLXIZKOJHC-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)undecan-2-one
CID 116588771
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
1-(propylamino)tetradecan-2-one
CID 116562895
dodecan-5-one
CID 29771
2,2-dimethyltridecane-5,7-dione
CID 139254512

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)nonan-2-one?
The IUPAC name of 1-(tert-butylamino)nonan-2-one (CID 116588806) is 1-(tert-butylamino)nonan-2-one.
What is the SMILES notation for 1-(tert-butylamino)nonan-2-one?
The canonical SMILES for 1-(tert-butylamino)nonan-2-one is CCCCCCCC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)nonan-2-one?
The InChIKey is DKWXLLXIZKOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-7-8-9-10-12(15)11-14-13(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)nonan-2-one?
1-(tert-butylamino)nonan-2-one has a molecular weight of 213.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)nonan-2-one is sourced from PubChem (CID 116588806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).