[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine

C16H26N2O — CID 62930301

IUPAC[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c17-12-14-4-11-19-15(14)13-18-9-7-16(8-10-18)5-2-1-3-6-16/h4,11H,1-3,5-10,12-13,17H2
InChIKeyHDCGORIOAXRDAG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.28
Rot. Bonds3

About [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine

[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine (PubChem CID 62930301) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
PubChem CID62930301
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c17-12-14-4-11-19-15(14)13-18-9-7-16(8-10-18)5-2-1-3-6-16/h4,11H,1-3,5-10,12-13,17H2
InChIKeyHDCGORIOAXRDAG-UHFFFAOYSA-N
XLogP3.28
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine (CID 62930301) is [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine is NCc1ccoc1CN1CCC2(CCCCC2)CC1.
What is the InChIKey of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine?
The InChIKey is HDCGORIOAXRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-12-14-4-11-19-15(14)13-18-9-7-16(8-10-18)5-2-1-3-6-16/h4,11H,1-3,5-10,12-13,17H2.
What are the key properties of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine?
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62930301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).