(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine

C11H22N2 — CID 123617819

IUPAC(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
SMILESCCC1C(C)CN2CCCC12CN
InChIInChI=1S/C11H22N2/c1-3-10-9(2)7-13-6-4-5-11(10,13)8-12/h9-10H,3-8,12H2,1-2H3
InChIKeyLLDGLNPQZJCVHZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds2

About (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine

(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine (PubChem CID 123617819) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
PubChem CID123617819
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
SMILESCCC1C(C)CN2CCCC12CN
InChIInChI=1S/C11H22N2/c1-3-10-9(2)7-13-6-4-5-11(10,13)8-12/h9-10H,3-8,12H2,1-2H3
InChIKeyLLDGLNPQZJCVHZ-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The IUPAC name of (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine (CID 123617819) is (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine.
What is the SMILES notation for (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The canonical SMILES for (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine is CCC1C(C)CN2CCCC12CN.
What is the InChIKey of (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The InChIKey is LLDGLNPQZJCVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-10-9(2)7-13-6-4-5-11(10,13)8-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine is sourced from PubChem (CID 123617819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).