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

C15H31NO — CID 116588771

IUPAC1-(tert-butylamino)undecan-2-one
SMILESCCCCCCCCCC(=O)CNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-12-14(17)13-16-15(2,3)4/h16H,5-13H2,1-4H3
InChIKeyHKJQURYNYWUANF-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.08
Rot. Bonds10

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

1-(tert-butylamino)undecan-2-one (PubChem CID 116588771) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(tert-butylamino)undecan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)undecan-2-one
PubChem CID116588771
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(tert-butylamino)undecan-2-one
SMILESCCCCCCCCCC(=O)CNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-12-14(17)13-16-15(2,3)4/h16H,5-13H2,1-4H3
InChIKeyHKJQURYNYWUANF-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.08
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)nonan-2-one
CID 116588806
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentacosan-7-one
CID 54551687
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
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)undecan-2-one?
The IUPAC name of 1-(tert-butylamino)undecan-2-one (CID 116588771) is 1-(tert-butylamino)undecan-2-one.
What is the SMILES notation for 1-(tert-butylamino)undecan-2-one?
The canonical SMILES for 1-(tert-butylamino)undecan-2-one is CCCCCCCCCC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)undecan-2-one?
The InChIKey is HKJQURYNYWUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-12-14(17)13-16-15(2,3)4/h16H,5-13H2,1-4H3.
What are the key properties of 1-(tert-butylamino)undecan-2-one?
1-(tert-butylamino)undecan-2-one has a molecular weight of 241.42 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)undecan-2-one is sourced from PubChem (CID 116588771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).