N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine

C16H32N2 — CID 82753424

IUPACN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-4-15(5-2)17-12-13(3)18-11-10-14-8-6-7-9-16(14)18/h13-17H,4-12H2,1-3H3
InChIKeyHCXKLPUSFNYJPV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine

N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine (PubChem CID 82753424) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine
PubChem CID82753424
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-4-15(5-2)17-12-13(3)18-11-10-14-8-6-7-9-16(14)18/h13-17H,4-12H2,1-3H3
InChIKeyHCXKLPUSFNYJPV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine (CID 82753424) is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)N1CCC2CCCCC21.
What is the InChIKey of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine?
The InChIKey is HCXKLPUSFNYJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15(5-2)17-12-13(3)18-11-10-14-8-6-7-9-16(14)18/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine?
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 82753424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).