1-(methylamino)-7-phenylheptan-4-one

C14H21NO — CID 116555547

IUPAC1-(methylamino)-7-phenylheptan-4-one
SMILESCNCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-15-12-6-11-14(16)10-5-9-13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyGTRKQPVUJMXGCE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds8

About 1-(methylamino)-7-phenylheptan-4-one

1-(methylamino)-7-phenylheptan-4-one (PubChem CID 116555547) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(methylamino)-7-phenylheptan-4-one.

Molecular Properties

Compound Name1-(methylamino)-7-phenylheptan-4-one
PubChem CID116555547
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(methylamino)-7-phenylheptan-4-one
SMILESCNCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-15-12-6-11-14(16)10-5-9-13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyGTRKQPVUJMXGCE-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,9-diphenylnonan-5-one
CID 23467830
N-methyl-9-phenylnonan-1-amine
CID 10609702
methyl 3-oxo-6-phenylhexanoate
CID 12701554
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
8-amino-1-phenyloctan-4-one
CID 116571907
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
5-phenylpentan-2-one
CID 16701
4-phenylbutanoyl chloride
CID 11789865
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
1-phenyloct-7-yn-4-one
CID 105100787

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-7-phenylheptan-4-one?
The IUPAC name of 1-(methylamino)-7-phenylheptan-4-one (CID 116555547) is 1-(methylamino)-7-phenylheptan-4-one.
What is the SMILES notation for 1-(methylamino)-7-phenylheptan-4-one?
The canonical SMILES for 1-(methylamino)-7-phenylheptan-4-one is CNCCCC(=O)CCCc1ccccc1.
What is the InChIKey of 1-(methylamino)-7-phenylheptan-4-one?
The InChIKey is GTRKQPVUJMXGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-12-6-11-14(16)10-5-9-13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3.
What are the key properties of 1-(methylamino)-7-phenylheptan-4-one?
1-(methylamino)-7-phenylheptan-4-one has a molecular weight of 219.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-7-phenylheptan-4-one is sourced from PubChem (CID 116555547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).