1-[bis(2-ethoxyethyl)amino]pentan-2-one

C13H27NO3 — CID 82952185

IUPAC1-[bis(2-ethoxyethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCOCC)CCOCC
InChIInChI=1S/C13H27NO3/c1-4-7-13(15)12-14(8-10-16-5-2)9-11-17-6-3/h4-12H2,1-3H3
InChIKeyPSTRJKSTEZPMQD-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.73
Rot. Bonds12

About 1-[bis(2-ethoxyethyl)amino]pentan-2-one

1-[bis(2-ethoxyethyl)amino]pentan-2-one (PubChem CID 82952185) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[bis(2-ethoxyethyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[bis(2-ethoxyethyl)amino]pentan-2-one
PubChem CID82952185
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[bis(2-ethoxyethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCOCC)CCOCC
InChIInChI=1S/C13H27NO3/c1-4-7-13(15)12-14(8-10-16-5-2)9-11-17-6-3/h4-12H2,1-3H3
InChIKeyPSTRJKSTEZPMQD-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dipropylamino)pentan-2-one
CID 62041814
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
CID 145348715
1-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870488
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N,N-bis(2-ethoxyethyl)butanimidamide
CID 82959932
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyethyl)amino]pentan-2-one?
The IUPAC name of 1-[bis(2-ethoxyethyl)amino]pentan-2-one (CID 82952185) is 1-[bis(2-ethoxyethyl)amino]pentan-2-one.
What is the SMILES notation for 1-[bis(2-ethoxyethyl)amino]pentan-2-one?
The canonical SMILES for 1-[bis(2-ethoxyethyl)amino]pentan-2-one is CCCC(=O)CN(CCOCC)CCOCC.
What is the InChIKey of 1-[bis(2-ethoxyethyl)amino]pentan-2-one?
The InChIKey is PSTRJKSTEZPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-7-13(15)12-14(8-10-16-5-2)9-11-17-6-3/h4-12H2,1-3H3.
What are the key properties of 1-[bis(2-ethoxyethyl)amino]pentan-2-one?
1-[bis(2-ethoxyethyl)amino]pentan-2-one has a molecular weight of 245.36 g/mol, XLogP of 1.73, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyethyl)amino]pentan-2-one is sourced from PubChem (CID 82952185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).