1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one

C11H22N2O2 — CID 119484003

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-6-4-11(14)13-5-3-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyKMLJTFNLAQRTRW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds5

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 119484003) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID119484003
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-6-4-11(14)13-5-3-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyKMLJTFNLAQRTRW-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119483773
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
1-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 124611665
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methylpropoxy)propan-1-one;hydrochloride
CID 119410008
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119484288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one (CID 119484003) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is KMLJTFNLAQRTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)15-6-4-11(14)13-5-3-10(7-12)8-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 119484003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).