4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one

C10H19NO — CID 159063908

IUPAC4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one
SMILESCN(C)CCCC(=O)C1(C)CC1
InChIInChI=1S/C10H19NO/c1-10(6-7-10)9(12)5-4-8-11(2)3/h4-8H2,1-3H3
InChIKeyJYUSVAZILATIDU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds5

About 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one

4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one (PubChem CID 159063908) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one
PubChem CID159063908
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one
SMILESCN(C)CCCC(=O)C1(C)CC1
InChIInChI=1S/C10H19NO/c1-10(6-7-10)9(12)5-4-8-11(2)3/h4-8H2,1-3H3
InChIKeyJYUSVAZILATIDU-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-amino-5-(dimethylamino)pentan-2-one
CID 160666073
6-(dimethylamino)hexane-2,3-dione
CID 164832237
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
1-(4-methyloxan-4-yl)hexadecan-1-one
CID 142775904
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123
5-(dimethylamino)-1,1,1-trifluoropentan-2-one
CID 19005120
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
1-amino-N-[3-(dimethylamino)propyl]-N-methylcyclopropane-1-carboxamide
CID 65458413

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one (CID 159063908) is 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one is CN(C)CCCC(=O)C1(C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one?
The InChIKey is JYUSVAZILATIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(6-7-10)9(12)5-4-8-11(2)3/h4-8H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one?
4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-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 4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one is sourced from PubChem (CID 159063908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).