6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one

C16H24N2O — CID 43579532

IUPAC6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c17-12-6-2-5-11-16(19)18-13-7-10-15(18)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13,17H2
InChIKeyWQTDYKIVSRZJAO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds6

About 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one

6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one (PubChem CID 43579532) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
PubChem CID43579532
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c17-12-6-2-5-11-16(19)18-13-7-10-15(18)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13,17H2
InChIKeyWQTDYKIVSRZJAO-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
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

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CID 119737777
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CID 79199360
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one
CID 119708915
7-amino-1-[2-(4-methoxyphenyl)azepan-1-yl]heptan-1-one
CID 119695933
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one (CID 43579532) is 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one is NCCCCCC(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is WQTDYKIVSRZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-6-2-5-11-16(19)18-13-7-10-15(18)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13,17H2.
What are the key properties of 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 43579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).