2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine

C17H29N3O — CID 118747025

IUPAC2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCC12CCCN(Cc1ccoc1)C2
InChIInChI=1S/C17H29N3O/c1-18(2)10-11-20-9-4-7-17(20)6-3-8-19(15-17)13-16-5-12-21-14-16/h5,12,14H,3-4,6-11,13,15H2,1-2H3
InChIKeyPDTZKFSIBWLBRO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.27
Rot. Bonds5

About 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine

2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine (PubChem CID 118747025) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine
PubChem CID118747025
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCC12CCCN(Cc1ccoc1)C2
InChIInChI=1S/C17H29N3O/c1-18(2)10-11-20-9-4-7-17(20)6-3-8-19(15-17)13-16-5-12-21-14-16/h5,12,14H,3-4,6-11,13,15H2,1-2H3
InChIKeyPDTZKFSIBWLBRO-UHFFFAOYSA-N
XLogP2.27
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine (CID 118747025) is 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCCC12CCCN(Cc1ccoc1)C2.
What is the InChIKey of 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine?
The InChIKey is PDTZKFSIBWLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-18(2)10-11-20-9-4-7-17(20)6-3-8-19(15-17)13-16-5-12-21-14-16/h5,12,14H,3-4,6-11,13,15H2,1-2H3.
What are the key properties of 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine?
2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(furan-3-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 118747025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).