4-amino-1-(benzylamino)butan-2-one

C11H16N2O — CID 83967308

IUPAC4-amino-1-(benzylamino)butan-2-one
SMILESNCCC(=O)CNCc1ccccc1
InChIInChI=1S/C11H16N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2
InChIKeyIKSGFFPASSXBHS-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.69
Rot. Bonds6

About 4-amino-1-(benzylamino)butan-2-one

4-amino-1-(benzylamino)butan-2-one (PubChem CID 83967308) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-amino-1-(benzylamino)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(benzylamino)butan-2-one
PubChem CID83967308
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-amino-1-(benzylamino)butan-2-one
SMILESNCCC(=O)CNCc1ccccc1
InChIInChI=1S/C11H16N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2
InChIKeyIKSGFFPASSXBHS-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(benzylamino)butan-2-one?
The IUPAC name of 4-amino-1-(benzylamino)butan-2-one (CID 83967308) is 4-amino-1-(benzylamino)butan-2-one.
What is the SMILES notation for 4-amino-1-(benzylamino)butan-2-one?
The canonical SMILES for 4-amino-1-(benzylamino)butan-2-one is NCCC(=O)CNCc1ccccc1.
What is the InChIKey of 4-amino-1-(benzylamino)butan-2-one?
The InChIKey is IKSGFFPASSXBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,13H,6-9,12H2.
What are the key properties of 4-amino-1-(benzylamino)butan-2-one?
4-amino-1-(benzylamino)butan-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(benzylamino)butan-2-one is sourced from PubChem (CID 83967308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).