1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one

C15H27N3O — CID 82897282

IUPAC1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
SMILESCC(C)N(CCNCCn1ccccc1=O)C(C)C
InChIInChI=1S/C15H27N3O/c1-13(2)18(14(3)4)12-9-16-8-11-17-10-6-5-7-15(17)19/h5-7,10,13-14,16H,8-9,11-12H2,1-4H3
InChIKeyMCWICNUDBSAZGC-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds8

About 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one

1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one (PubChem CID 82897282) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
PubChem CID82897282
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
SMILESCC(C)N(CCNCCn1ccccc1=O)C(C)C
InChIInChI=1S/C15H27N3O/c1-13(2)18(14(3)4)12-9-16-8-11-17-10-6-5-7-15(17)19/h5-7,10,13-14,16H,8-9,11-12H2,1-4H3
InChIKeyMCWICNUDBSAZGC-UHFFFAOYSA-N
XLogP1.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one
CID 82897249
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
CID 82897187
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
3-[2-(2-oxo-1-pyridinyl)ethyl-propan-2-ylamino]propanoic acid
CID 82897429
1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
CID 105416898
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one (CID 82897282) is 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one is CC(C)N(CCNCCn1ccccc1=O)C(C)C.
What is the InChIKey of 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one?
The InChIKey is MCWICNUDBSAZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)18(14(3)4)12-9-16-8-11-17-10-6-5-7-15(17)19/h5-7,10,13-14,16H,8-9,11-12H2,1-4H3.
What are the key properties of 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one?
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).