1-amino-5-methyl-1-phenylheptan-4-one

C14H21NO — CID 116570769

IUPAC1-amino-5-methyl-1-phenylheptan-4-one
SMILESCCC(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11(2)14(16)10-9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3
InChIKeyGOYYSNBWCMCSBR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds6

About 1-amino-5-methyl-1-phenylheptan-4-one

1-amino-5-methyl-1-phenylheptan-4-one (PubChem CID 116570769) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-amino-5-methyl-1-phenylheptan-4-one.

Molecular Properties

Compound Name1-amino-5-methyl-1-phenylheptan-4-one
PubChem CID116570769
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-amino-5-methyl-1-phenylheptan-4-one
SMILESCCC(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11(2)14(16)10-9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3
InChIKeyGOYYSNBWCMCSBR-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
4-amino-1,4-diphenylbutan-1-one
CID 116570833
6-amino-2-methyl-6-phenylhex-1-en-3-one
CID 116570824
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 131864107
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
2-methyl-6-phenyloctan-3-one
CID 157318832
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methyl-1-phenylheptan-4-one?
The IUPAC name of 1-amino-5-methyl-1-phenylheptan-4-one (CID 116570769) is 1-amino-5-methyl-1-phenylheptan-4-one.
What is the SMILES notation for 1-amino-5-methyl-1-phenylheptan-4-one?
The canonical SMILES for 1-amino-5-methyl-1-phenylheptan-4-one is CCC(C)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 1-amino-5-methyl-1-phenylheptan-4-one?
The InChIKey is GOYYSNBWCMCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11(2)14(16)10-9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3.
What are the key properties of 1-amino-5-methyl-1-phenylheptan-4-one?
1-amino-5-methyl-1-phenylheptan-4-one has a molecular weight of 219.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methyl-1-phenylheptan-4-one is sourced from PubChem (CID 116570769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).