ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen

C11H26N2O — CID 144853305

IUPACethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
SMILESCC.CCC(=O)N1CCC(CNC)C1.[H][H]
InChIInChI=1S/C9H18N2O.C2H6.H2/c1-3-9(12)11-5-4-8(7-11)6-10-2;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H
InChIKeyQXCVVMMQLDVECP-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.74
Rot. Bonds3

About ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen

ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen (PubChem CID 144853305) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
PubChem CID144853305
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
SMILESCC.CCC(=O)N1CCC(CNC)C1.[H][H]
InChIInChI=1S/C9H18N2O.C2H6.H2/c1-3-9(12)11-5-4-8(7-11)6-10-2;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H
InChIKeyQXCVVMMQLDVECP-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119539246
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen?
The IUPAC name of ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen (CID 144853305) is ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen.
What is the SMILES notation for ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen?
The canonical SMILES for ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen is CC.CCC(=O)N1CCC(CNC)C1.[H][H].
What is the InChIKey of ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen?
The InChIKey is QXCVVMMQLDVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6.H2/c1-3-9(12)11-5-4-8(7-11)6-10-2;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen?
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen has a molecular weight of 202.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen is sourced from PubChem (CID 144853305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).