N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine

C15H30N2O — CID 170275774

IUPACN-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC2(COC(C)C)CCCN12
InChIInChI=1S/C15H30N2O/c1-12(2)16-10-14-6-8-15(11-18-13(3)4)7-5-9-17(14)15/h12-14,16H,5-11H2,1-4H3
InChIKeyACVDNVDEBNAGCO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds6

About N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine

N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine (PubChem CID 170275774) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine
PubChem CID170275774
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC2(COC(C)C)CCCN12
InChIInChI=1S/C15H30N2O/c1-12(2)16-10-14-6-8-15(11-18-13(3)4)7-5-9-17(14)15/h12-14,16H,5-11H2,1-4H3
InChIKeyACVDNVDEBNAGCO-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine (CID 170275774) is N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCC2(COC(C)C)CCCN12.
What is the InChIKey of N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine?
The InChIKey is ACVDNVDEBNAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)16-10-14-6-8-15(11-18-13(3)4)7-5-9-17(14)15/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine?
N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 170275774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).