N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C17H25BrN2 — CID 43694264

IUPACN-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCC(NC1CCN2CCCCC12)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-2-15(13-6-8-14(18)9-7-13)19-16-10-12-20-11-4-3-5-17(16)20/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyJWYTZUKMTWZXSJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694264) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694264
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCC(NC1CCN2CCCCC12)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-2-15(13-6-8-14(18)9-7-13)19-16-10-12-20-11-4-3-5-17(16)20/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyJWYTZUKMTWZXSJ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783408
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 43223922
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)butanoate
CID 113292420
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694264) is N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCC(NC1CCN2CCCCC12)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is JWYTZUKMTWZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-15(13-6-8-14(18)9-7-13)19-16-10-12-20-11-4-3-5-17(16)20/h6-9,15-17,19H,2-5,10-12H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 337.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).