1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

C10H21ClN2O — CID 71751710

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)9(13)12-5-4-8(6-11)7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyOHZJPXNKINSKBW-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.26
Rot. Bonds1

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 71751710) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID71751710
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)9(13)12-5-4-8(6-11)7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyOHZJPXNKINSKBW-UHFFFAOYSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
1-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 119485277
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-2-(4-methylanilino)propan-1-one;dihydrochloride
CID 154884834
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride
CID 119484757
5-[3-(aminomethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62934768
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 71751710) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(C)C(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is OHZJPXNKINSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-10(2,3)9(13)12-5-4-8(6-11)7-12;/h8H,4-7,11H2,1-3H3;1H.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 71751710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).