N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H26N2 — CID 43752179

IUPACN-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(NC1CCN2CCCC12)c1ccccc1
InChIInChI=1S/C17H26N2/c1-2-7-15(14-8-4-3-5-9-14)18-16-11-13-19-12-6-10-17(16)19/h3-5,8-9,15-18H,2,6-7,10-13H2,1H3
InChIKeyUIVZXUFOMKWMLV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.35
Rot. Bonds5

About N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752179) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752179
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC(NC1CCN2CCCC12)c1ccccc1
InChIInChI=1S/C17H26N2/c1-2-7-15(14-8-4-3-5-9-14)18-16-11-13-19-12-6-10-17(16)19/h3-5,8-9,15-18H,2,6-7,10-13H2,1H3
InChIKeyUIVZXUFOMKWMLV-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752336
N-(2,2-dimethyl-1-phenylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853453
N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150
N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694264
N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol
CID 67312540
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
2-phenyl-N-(1-phenylbutyl)cyclopropan-1-amine
CID 63454721
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752370

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752179) is N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCC(NC1CCN2CCCC12)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UIVZXUFOMKWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-7-15(14-8-4-3-5-9-14)18-16-11-13-19-12-6-10-17(16)19/h3-5,8-9,15-18H,2,6-7,10-13H2,1H3.
What are the key properties of N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).