cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

C14H26N2O2 — CID 66052753

IUPACcyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-15(2)9-12-8-13(17)10-16(12)14(18)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3
InChIKeyMQUHOFPANSJFQN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds3

About cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66052753) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66052753
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namecyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-15(2)9-12-8-13(17)10-16(12)14(18)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3
InChIKeyMQUHOFPANSJFQN-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66053156
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052618
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056815
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66053359
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 66053165
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone
CID 114084952
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
2-[(dimethylamino)methyl]-4-hydroxy-N-methylpyrrolidine-1-carbothioamide
CID 116509184

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66052753) is cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is CN(C)CC1CC(O)CN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is MQUHOFPANSJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(2)9-12-8-13(17)10-16(12)14(18)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3.
What are the key properties of cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66052753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).