1-amino-1,6-diphenylhexan-3-one

C18H21NO — CID 116552978

IUPAC1-amino-1,6-diphenylhexan-3-one
SMILESNC(CC(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c19-18(16-11-5-2-6-12-16)14-17(20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14,19H2
InChIKeyBUQOJCCTLDFDSJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.67
Rot. Bonds7

About 1-amino-1,6-diphenylhexan-3-one

1-amino-1,6-diphenylhexan-3-one (PubChem CID 116552978) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-1,6-diphenylhexan-3-one.

Molecular Properties

Compound Name1-amino-1,6-diphenylhexan-3-one
PubChem CID116552978
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-amino-1,6-diphenylhexan-3-one
SMILESNC(CC(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c19-18(16-11-5-2-6-12-16)14-17(20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14,19H2
InChIKeyBUQOJCCTLDFDSJ-UHFFFAOYSA-N
XLogP3.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6,9-diamino-1-phenylnonan-4-one
CID 157262351
3-phenylpropanoyl 3-amino-3-phenylpropanoate
CID 174426810
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
1,9-diphenylnonan-5-one
CID 23467830
8-amino-1-phenyloctan-4-one
CID 116571907
1-amino-5-methyl-1-phenylhex-5-en-3-one
CID 116553116
5-phenylpentan-2-one
CID 16701
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
sodium 3-amino-3-phenylpropanoate
CID 67838286
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,6-diphenylhexan-3-one?
The IUPAC name of 1-amino-1,6-diphenylhexan-3-one (CID 116552978) is 1-amino-1,6-diphenylhexan-3-one.
What is the SMILES notation for 1-amino-1,6-diphenylhexan-3-one?
The canonical SMILES for 1-amino-1,6-diphenylhexan-3-one is NC(CC(=O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-amino-1,6-diphenylhexan-3-one?
The InChIKey is BUQOJCCTLDFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-18(16-11-5-2-6-12-16)14-17(20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13-14,19H2.
What are the key properties of 1-amino-1,6-diphenylhexan-3-one?
1-amino-1,6-diphenylhexan-3-one has a molecular weight of 267.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,6-diphenylhexan-3-one is sourced from PubChem (CID 116552978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).