6-(3-aminopyrrolidin-1-yl)hexan-3-one

C10H20N2O — CID 106801405

IUPAC6-(3-aminopyrrolidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCC(N)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13)4-3-6-12-7-5-9(11)8-12/h9H,2-8,11H2,1H3
InChIKeySKRQFMCPVPADQD-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.78
Rot. Bonds5

About 6-(3-aminopyrrolidin-1-yl)hexan-3-one

6-(3-aminopyrrolidin-1-yl)hexan-3-one (PubChem CID 106801405) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)hexan-3-one
PubChem CID106801405
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-(3-aminopyrrolidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCC(N)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13)4-3-6-12-7-5-9(11)8-12/h9H,2-8,11H2,1H3
InChIKeySKRQFMCPVPADQD-UHFFFAOYSA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
CID 115302442
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801203
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
CID 106801147
11-(4-methoxypiperidin-1-yl)undecan-3-one
CID 171786440
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)hexan-3-one?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)hexan-3-one (CID 106801405) is 6-(3-aminopyrrolidin-1-yl)hexan-3-one.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)hexan-3-one?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)hexan-3-one is CCC(=O)CCCN1CCC(N)C1.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)hexan-3-one?
The InChIKey is SKRQFMCPVPADQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-10(13)4-3-6-12-7-5-9(11)8-12/h9H,2-8,11H2,1H3.
What are the key properties of 6-(3-aminopyrrolidin-1-yl)hexan-3-one?
6-(3-aminopyrrolidin-1-yl)hexan-3-one has a molecular weight of 184.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)hexan-3-one is sourced from PubChem (CID 106801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).