3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one

C18H27NO — CID 114607588

IUPAC3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C18H27NO/c1-13(2)10-14(12-19)11-18(20)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,13-15H,5-7,10-12,19H2,1-2H3
InChIKeyCGTFKDMTKONPPP-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.15
Rot. Bonds7

About 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one

3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one (PubChem CID 114607588) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one
PubChem CID114607588
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C18H27NO/c1-13(2)10-14(12-19)11-18(20)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,13-15H,5-7,10-12,19H2,1-2H3
InChIKeyCGTFKDMTKONPPP-UHFFFAOYSA-N
XLogP4.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115813607
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
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4-(2-cyclopropylphenyl)-2-methyl-4-oxobutanoic acid
CID 79977145
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
CID 114607787
3-(aminomethyl)-5-methyl-1-(2-propoxyphenyl)hexan-1-one
CID 116576808
ethyl 2-cyclobutylbenzoate
CID 106942755
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
3-(aminomethyl)-1-(2,6-difluorophenyl)-5-methylhexan-1-one
CID 116576864

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one (CID 114607588) is 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one is CC(C)CC(CN)CC(=O)c1ccccc1C1CCC1.
What is the InChIKey of 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one?
The InChIKey is CGTFKDMTKONPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)10-14(12-19)11-18(20)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,13-15H,5-7,10-12,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one?
3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one is sourced from PubChem (CID 114607588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).