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

C14H26N2 — CID 115765456

IUPACN-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(CNC1CCN2CCCC2C1)C1CC1
InChIInChI=1S/C14H26N2/c1-11(12-4-5-12)10-15-13-6-8-16-7-2-3-14(16)9-13/h11-15H,2-10H2,1H3
InChIKeySDFPXNQBIRETAY-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

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

N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 115765456) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID115765456
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(CNC1CCN2CCCC2C1)C1CC1
InChIInChI=1S/C14H26N2/c1-11(12-4-5-12)10-15-13-6-8-16-7-2-3-14(16)9-13/h11-15H,2-10H2,1H3
InChIKeySDFPXNQBIRETAY-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 115765456) is N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(CNC1CCN2CCCC2C1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is SDFPXNQBIRETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(12-4-5-12)10-15-13-6-8-16-7-2-3-14(16)9-13/h11-15H,2-10H2,1H3.
What are the key properties of N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 115765456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).