1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen

C11H24N2O — CID 144853356

IUPAC1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
SMILESCCNCC1CCN(C(=O)C(C)C)C1.[H][H]
InChIInChI=1S/C11H22N2O.H2/c1-4-12-7-10-5-6-13(8-10)11(14)9(2)3;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyCJACDKNIWFFCJV-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.35
Rot. Bonds4

About 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen

1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen (PubChem CID 144853356) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
PubChem CID144853356
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
SMILESCCNCC1CCN(C(=O)C(C)C)C1.[H][H]
InChIInChI=1S/C11H22N2O.H2/c1-4-12-7-10-5-6-13(8-10)11(14)9(2)3;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyCJACDKNIWFFCJV-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
(2S)-2-amino-1-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 121230429
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
1-[2-(ethylaminomethyl)azetidin-1-yl]-2-methylpropan-1-one
CID 170198232
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
CID 119648398

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen?
The IUPAC name of 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen (CID 144853356) is 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen.
What is the SMILES notation for 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen?
The canonical SMILES for 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen is CCNCC1CCN(C(=O)C(C)C)C1.[H][H].
What is the InChIKey of 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen?
The InChIKey is CJACDKNIWFFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.H2/c1-4-12-7-10-5-6-13(8-10)11(14)9(2)3;/h9-10,12H,4-8H2,1-3H3;1H.
What are the key properties of 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen?
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen has a molecular weight of 200.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen is sourced from PubChem (CID 144853356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).