1-cyclobutyl-4-(dimethylamino)butan-2-one

C10H19NO — CID 115345748

IUPAC1-cyclobutyl-4-(dimethylamino)butan-2-one
SMILESCN(C)CCC(=O)CC1CCC1
InChIInChI=1S/C10H19NO/c1-11(2)7-6-10(12)8-9-4-3-5-9/h9H,3-8H2,1-2H3
InChIKeyNNGYSZWYAZLKLM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds5

About 1-cyclobutyl-4-(dimethylamino)butan-2-one

1-cyclobutyl-4-(dimethylamino)butan-2-one (PubChem CID 115345748) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-cyclobutyl-4-(dimethylamino)butan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-(dimethylamino)butan-2-one
PubChem CID115345748
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-cyclobutyl-4-(dimethylamino)butan-2-one
SMILESCN(C)CCC(=O)CC1CCC1
InChIInChI=1S/C10H19NO/c1-11(2)7-6-10(12)8-9-4-3-5-9/h9H,3-8H2,1-2H3
InChIKeyNNGYSZWYAZLKLM-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-4-(diethylamino)butan-2-one
CID 79078090
4-chloro-1-cyclopentylbutan-2-one
CID 57105586
9-[2-(dimethylamino)ethyl-heptylamino]-1-(4-methylcycloundecyl)nonan-2-one
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1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclopentylundecan-2-one
CID 114966416
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1-cyclohexylnonan-2-one
CID 22768059
1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
CID 116582225
tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(dimethylamino)butan-2-one?
The IUPAC name of 1-cyclobutyl-4-(dimethylamino)butan-2-one (CID 115345748) is 1-cyclobutyl-4-(dimethylamino)butan-2-one.
What is the SMILES notation for 1-cyclobutyl-4-(dimethylamino)butan-2-one?
The canonical SMILES for 1-cyclobutyl-4-(dimethylamino)butan-2-one is CN(C)CCC(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(dimethylamino)butan-2-one?
The InChIKey is NNGYSZWYAZLKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11(2)7-6-10(12)8-9-4-3-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-(dimethylamino)butan-2-one?
1-cyclobutyl-4-(dimethylamino)butan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(dimethylamino)butan-2-one is sourced from PubChem (CID 115345748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).