1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C14H26N2O2 — CID 114238903

IUPAC1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCCCOCCCNC1CC(=O)N2CCCC12
InChIInChI=1S/C14H26N2O2/c1-2-3-9-18-10-5-7-15-12-11-14(17)16-8-4-6-13(12)16/h12-13,15H,2-11H2,1H3
InChIKeyUCSQAKJWZURVSZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds8

About 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 114238903) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID114238903
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCCCOCCCNC1CC(=O)N2CCCC12
InChIInChI=1S/C14H26N2O2/c1-2-3-9-18-10-5-7-15-12-11-14(17)16-8-4-6-13(12)16/h12-13,15H,2-11H2,1H3
InChIKeyUCSQAKJWZURVSZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223375
1-hydrazinyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130490616
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
1-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
1-[(3-methylphenyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238791
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238849
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 114238903) is 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CCCCOCCCNC1CC(=O)N2CCCC12.
What is the InChIKey of 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is UCSQAKJWZURVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-9-18-10-5-7-15-12-11-14(17)16-8-4-6-13(12)16/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 254.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 114238903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).