3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one

C14H28N2O — CID 119651206

IUPAC3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCNCC1CCCN1C(=O)CC(C)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)8-12(3)9-14(17)16-7-5-6-13(16)10-15-4/h11-13,15H,5-10H2,1-4H3
InChIKeyGZGVRQBTUVMSFD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one

3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 119651206) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID119651206
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCNCC1CCCN1C(=O)CC(C)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)8-12(3)9-14(17)16-7-5-6-13(16)10-15-4/h11-13,15H,5-10H2,1-4H3
InChIKeyGZGVRQBTUVMSFD-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119397824
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 119649061
4-(2-methoxyphenyl)-3-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119648867
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913
(3R)-1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124596058
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one (CID 119651206) is 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one is CNCC1CCCN1C(=O)CC(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is GZGVRQBTUVMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)8-12(3)9-14(17)16-7-5-6-13(16)10-15-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one?
3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 119651206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).