(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane

C20H28N2O2 — CID 97482941

IUPAC(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCC[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)o1
InChIInChI=1S/C20H28N2O2/c1-16-4-6-18(23-16)12-21-10-3-8-20(14-21)9-11-22(15-20)13-19-7-5-17(2)24-19/h4-7H,3,8-15H2,1-2H3/t20-/m1/s1
InChIKeySCYCQSCMSOPXBO-HXUWFJFHSA-N
MW328.46 g/mol
LogP3.98
Rot. Bonds4

About (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane

(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 97482941) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID97482941
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CCC[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)o1
InChIInChI=1S/C20H28N2O2/c1-16-4-6-18(23-16)12-21-10-3-8-20(14-21)9-11-22(15-20)13-19-7-5-17(2)24-19/h4-7H,3,8-15H2,1-2H3/t20-/m1/s1
InChIKeySCYCQSCMSOPXBO-HXUWFJFHSA-N
XLogP3.98
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131644646
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
CID 45189906
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286
2-[(5-methylfuran-2-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131639945
2-[(5-methylfuran-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155840498
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847726
(5S)-10-[(5-methylfuran-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384880
(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
2-(1,3-benzodioxol-5-yl)-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118741058
(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091

Frequently Asked Questions

What is the IUPAC name of (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 97482941) is (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane is Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)o1.
What is the InChIKey of (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is SCYCQSCMSOPXBO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-4-6-18(23-16)12-21-10-3-8-20(14-21)9-11-22(15-20)13-19-7-5-17(2)24-19/h4-7H,3,8-15H2,1-2H3/t20-/m1/s1.
What are the key properties of (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 328.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).