1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C17H27N3 — CID 82853157

IUPAC1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCc1ccc(N(C)C2(CN)CCN3CCCC32)cc1
InChIInChI=1S/C17H27N3/c1-3-14-6-8-15(9-7-14)19(2)17(13-18)10-12-20-11-4-5-16(17)20/h6-9,16H,3-5,10-13,18H2,1-2H3
InChIKeyRJKREANYLOMJOT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.25
Rot. Bonds4

About 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853157) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853157
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCc1ccc(N(C)C2(CN)CCN3CCCC32)cc1
InChIInChI=1S/C17H27N3/c1-3-14-6-8-15(9-7-14)19(2)17(13-18)10-12-20-11-4-5-16(17)20/h6-9,16H,3-5,10-13,18H2,1-2H3
InChIKeyRJKREANYLOMJOT-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853157) is 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CCc1ccc(N(C)C2(CN)CCN3CCCC32)cc1.
What is the InChIKey of 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is RJKREANYLOMJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-14-6-8-15(9-7-14)19(2)17(13-18)10-12-20-11-4-5-16(17)20/h6-9,16H,3-5,10-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).