5-(benzylamino)hexan-3-one

C13H19NO — CID 10998159

IUPAC5-(benzylamino)hexan-3-one
SMILESCCC(=O)CC(C)NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyDTWKGRHDCJPNDM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds6

About 5-(benzylamino)hexan-3-one

5-(benzylamino)hexan-3-one (PubChem CID 10998159) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(benzylamino)hexan-3-one.

Molecular Properties

Compound Name5-(benzylamino)hexan-3-one
PubChem CID10998159
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(benzylamino)hexan-3-one
SMILESCCC(=O)CC(C)NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyDTWKGRHDCJPNDM-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(benzylamino)butanoate
CID 13416927
octyl 3-(benzylamino)butanoate
CID 69218907
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
5-anilinohexan-3-one
CID 10397682
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
CID 141366612
3-[[4-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230789
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
dimethyl 2-(benzylamino)propanedioate
CID 562185
N-benzyl-3-oxopentanamide
CID 10632061
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)hexan-3-one?
The IUPAC name of 5-(benzylamino)hexan-3-one (CID 10998159) is 5-(benzylamino)hexan-3-one.
What is the SMILES notation for 5-(benzylamino)hexan-3-one?
The canonical SMILES for 5-(benzylamino)hexan-3-one is CCC(=O)CC(C)NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)hexan-3-one?
The InChIKey is DTWKGRHDCJPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 5-(benzylamino)hexan-3-one?
5-(benzylamino)hexan-3-one has a molecular weight of 205.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)hexan-3-one is sourced from PubChem (CID 10998159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).