N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C18H28N2 — CID 81296915

IUPACN-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(Cc1ccccc1)NC1CCN2CCCC2C1
InChIInChI=1S/C18H28N2/c1-2-16(13-15-7-4-3-5-8-15)19-17-10-12-20-11-6-9-18(20)14-17/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyDTVWCPCIQTWDFJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.22
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81296915) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81296915
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(Cc1ccccc1)NC1CCN2CCCC2C1
InChIInChI=1S/C18H28N2/c1-2-16(13-15-7-4-3-5-8-15)19-17-10-12-20-11-6-9-18(20)14-17/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyDTVWCPCIQTWDFJ-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine
CID 138057875
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297572
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298614
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008149

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81296915) is N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCC(Cc1ccccc1)NC1CCN2CCCC2C1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is DTVWCPCIQTWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-16(13-15-7-4-3-5-8-15)19-17-10-12-20-11-6-9-18(20)14-17/h3-5,7-8,16-19H,2,6,9-14H2,1H3.
What are the key properties of N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 272.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81296915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).