6-amino-1-(3,5-dimethylphenyl)heptan-2-one

C15H23NO — CID 116609997

IUPAC6-amino-1-(3,5-dimethylphenyl)heptan-2-one
SMILESCc1cc(C)cc(CC(=O)CCCC(C)N)c1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)10-15(17)6-4-5-13(3)16/h7-9,13H,4-6,10,16H2,1-3H3
InChIKeyAQUQXKBLBGEEAL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.93
Rot. Bonds6

About 6-amino-1-(3,5-dimethylphenyl)heptan-2-one

6-amino-1-(3,5-dimethylphenyl)heptan-2-one (PubChem CID 116609997) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-amino-1-(3,5-dimethylphenyl)heptan-2-one.

Molecular Properties

Compound Name6-amino-1-(3,5-dimethylphenyl)heptan-2-one
PubChem CID116609997
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-amino-1-(3,5-dimethylphenyl)heptan-2-one
SMILESCc1cc(C)cc(CC(=O)CCCC(C)N)c1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)10-15(17)6-4-5-13(3)16/h7-9,13H,4-6,10,16H2,1-3H3
InChIKeyAQUQXKBLBGEEAL-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(4-bromophenyl)heptan-2-one
CID 116610163
1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
4-(4-aminophenyl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116605365
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
2-aminoundecan-6-one
CID 116610207
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
CID 116610103
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
5-amino-1-(4-tert-butylphenyl)hexan-2-one
CID 116571711

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,5-dimethylphenyl)heptan-2-one?
The IUPAC name of 6-amino-1-(3,5-dimethylphenyl)heptan-2-one (CID 116609997) is 6-amino-1-(3,5-dimethylphenyl)heptan-2-one.
What is the SMILES notation for 6-amino-1-(3,5-dimethylphenyl)heptan-2-one?
The canonical SMILES for 6-amino-1-(3,5-dimethylphenyl)heptan-2-one is Cc1cc(C)cc(CC(=O)CCCC(C)N)c1.
What is the InChIKey of 6-amino-1-(3,5-dimethylphenyl)heptan-2-one?
The InChIKey is AQUQXKBLBGEEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)10-15(17)6-4-5-13(3)16/h7-9,13H,4-6,10,16H2,1-3H3.
What are the key properties of 6-amino-1-(3,5-dimethylphenyl)heptan-2-one?
6-amino-1-(3,5-dimethylphenyl)heptan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,5-dimethylphenyl)heptan-2-one is sourced from PubChem (CID 116609997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).