ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine

C14H32N2O2 — CID 153375524

IUPACethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
SMILESCC.CC(C)(C)CC(=O)N1CC[C@@H](O)C1.CNC
InChIInChI=1S/C10H19NO2.C2H7N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3/t8-;;/m1../s1
InChIKeyOLTHSVVVAOYDQR-YCBDHFTFSA-N
MW260.42 g/mol
LogP1.88
Rot. Bonds1

About ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine

ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine (PubChem CID 153375524) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
PubChem CID153375524
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Nameethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
SMILESCC.CC(C)(C)CC(=O)N1CC[C@@H](O)C1.CNC
InChIInChI=1S/C10H19NO2.C2H7N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3/t8-;;/m1../s1
InChIKeyOLTHSVVVAOYDQR-YCBDHFTFSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 114801720
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine?
The IUPAC name of ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine (CID 153375524) is ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine.
What is the SMILES notation for ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine?
The canonical SMILES for ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine is CC.CC(C)(C)CC(=O)N1CC[C@@H](O)C1.CNC.
What is the InChIKey of ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine?
The InChIKey is OLTHSVVVAOYDQR-YCBDHFTFSA-N. The full InChI is InChI=1S/C10H19NO2.C2H7N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3/t8-;;/m1../s1.
What are the key properties of ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine?
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine has a molecular weight of 260.42 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine is sourced from PubChem (CID 153375524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).