1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C15H25N3O — CID 82853318

IUPAC1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCN2CCCC21
InChIInChI=1S/C15H25N3O/c1-2-18(11-13-5-4-10-19-13)15(12-16)7-9-17-8-3-6-14(15)17/h4-5,10,14H,2-3,6-9,11-12,16H2,1H3
InChIKeyUUIPVSPOGPELKC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853318) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853318
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CCN2CCCC21
InChIInChI=1S/C15H25N3O/c1-2-18(11-13-5-4-10-19-13)15(12-16)7-9-17-8-3-6-14(15)17/h4-5,10,14H,2-3,6-9,11-12,16H2,1H3
InChIKeyUUIPVSPOGPELKC-UHFFFAOYSA-N
XLogP1.67
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853318) is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CCN(Cc1ccco1)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is UUIPVSPOGPELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-18(11-13-5-4-10-19-13)15(12-16)7-9-17-8-3-6-14(15)17/h4-5,10,14H,2-3,6-9,11-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).