1-(3-aminopyrrolidin-1-yl)dodecan-1-one

C16H32N2O — CID 65428474

IUPAC1-(3-aminopyrrolidin-1-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCC(N)C1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(19)18-13-12-15(17)14-18/h15H,2-14,17H2,1H3
InChIKeyBQBLWHUDWWGYIJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.47
Rot. Bonds10

About 1-(3-aminopyrrolidin-1-yl)dodecan-1-one

1-(3-aminopyrrolidin-1-yl)dodecan-1-one (PubChem CID 65428474) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)dodecan-1-one.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)dodecan-1-one
PubChem CID65428474
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(3-aminopyrrolidin-1-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CCC(N)C1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(19)18-13-12-15(17)14-18/h15H,2-14,17H2,1H3
InChIKeyBQBLWHUDWWGYIJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-[3-(2-bromoethyl)pyrrolidin-1-yl]heptan-1-one
CID 114801413
1-[3-(2-chloroethyl)pyrrolidin-1-yl]dodecan-1-one
CID 114801182
1-[(3R)-3-aminopyrrolidin-1-yl]-3-butylsulfanylpropan-1-one
CID 119413529
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119413509
5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119412942
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119413508

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)dodecan-1-one?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)dodecan-1-one (CID 65428474) is 1-(3-aminopyrrolidin-1-yl)dodecan-1-one.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)dodecan-1-one?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)dodecan-1-one is CCCCCCCCCCCC(=O)N1CCC(N)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)dodecan-1-one?
The InChIKey is BQBLWHUDWWGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(19)18-13-12-15(17)14-18/h15H,2-14,17H2,1H3.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)dodecan-1-one?
1-(3-aminopyrrolidin-1-yl)dodecan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)dodecan-1-one is sourced from PubChem (CID 65428474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).