N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C12H24N2 — CID 81296302

IUPACN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(C)NC1CCN2CCCC2C1
InChIInChI=1S/C12H24N2/c1-3-10(2)13-11-6-8-14-7-4-5-12(14)9-11/h10-13H,3-9H2,1-2H3
InChIKeyMXXUZOCUTSFMDJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds3

About N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81296302) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81296302
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(C)NC1CCN2CCCC2C1
InChIInChI=1S/C12H24N2/c1-3-10(2)13-11-6-8-14-7-4-5-12(14)9-11/h10-13H,3-9H2,1-2H3
InChIKeyMXXUZOCUTSFMDJ-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81296302) is N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCC(C)NC1CCN2CCCC2C1.
What is the InChIKey of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is MXXUZOCUTSFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-10(2)13-11-6-8-14-7-4-5-12(14)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81296302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).