(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C23H32N2O2 — CID 97487801

IUPAC(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)o1
InChIInChI=1S/C23H32N2O2/c1-3-21-9-10-22(27-21)17-25-13-11-23(12-14-25)15-20(18-26-23)24(2)16-19-7-5-4-6-8-19/h4-10,20H,3,11-18H2,1-2H3/t20-/m0/s1
InChIKeyQBITWFANMYAVNL-FQEVSTJZSA-N
MW368.52 g/mol
LogP4.10
Rot. Bonds6

About (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97487801) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97487801
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)o1
InChIInChI=1S/C23H32N2O2/c1-3-21-9-10-22(27-21)17-25-13-11-23(12-14-25)15-20(18-26-23)24(2)16-19-7-5-4-6-8-19/h4-10,20H,3,11-18H2,1-2H3/t20-/m0/s1
InChIKeyQBITWFANMYAVNL-FQEVSTJZSA-N
XLogP4.10
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

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Related Compounds

3-[[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 97487811
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
N-methyl-N,8-bis(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 171697216
(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371444
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone
CID 97487821
(3S)-N-methyl-N-(pyridin-3-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371337
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
8-(cyclopropylmethyl)-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131646294
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 97371216
8-[(5-methylfuran-2-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 131659789

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97487801) is (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CCc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)o1.
What is the InChIKey of (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QBITWFANMYAVNL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-21-9-10-22(27-21)17-25-13-11-23(12-14-25)15-20(18-26-23)24(2)16-19-7-5-4-6-8-19/h4-10,20H,3,11-18H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 368.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97487801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).