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

C16H26N2O — CID 62930470

IUPAC[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
SMILESNCc1occc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c17-12-15-14(4-11-19-15)13-18-9-7-16(8-10-18)5-2-1-3-6-16/h4,11H,1-3,5-10,12-13,17H2
InChIKeyLJAYKSZTGFZQQD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.28
Rot. Bonds3

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

[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine (PubChem CID 62930470) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
PubChem CID62930470
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
SMILESNCc1occc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c17-12-15-14(4-11-19-15)13-18-9-7-16(8-10-18)5-2-1-3-6-16/h4,11H,1-3,5-10,12-13,17H2
InChIKeyLJAYKSZTGFZQQD-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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Related Compounds

[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
CID 62930301
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
CID 65286568
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
CID 82507803
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170746
[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 55158772
1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 62931505
2-(8-azaspiro[4.5]decan-8-ylmethyl)pyridin-4-amine
CID 79251942

Frequently Asked Questions

What is the IUPAC name of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine (CID 62930470) is [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine is NCc1occc1CN1CCC2(CCCCC2)CC1.
What is the InChIKey of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine?
The InChIKey is LJAYKSZTGFZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-12-15-14(4-11-19-15)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 [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine?
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-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 [3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62930470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).