(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane

C16H26N2O2 — CID 97486934

IUPAC(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCCN1C[C@@H](COC)[C@]2(CCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C16H26N2O2/c1-3-17-9-15(11-19-2)16(12-17)5-6-18(13-16)8-14-4-7-20-10-14/h4,7,10,15H,3,5-6,8-9,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyNLYQIEAQPCLCEY-JKSUJKDBSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds5

About (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane

(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 97486934) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID97486934
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
SMILESCCN1C[C@@H](COC)[C@]2(CCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C16H26N2O2/c1-3-17-9-15(11-19-2)16(12-17)5-6-18(13-16)8-14-4-7-20-10-14/h4,7,10,15H,3,5-6,8-9,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyNLYQIEAQPCLCEY-JKSUJKDBSA-N
XLogP2.07
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155864094
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
(4S,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487490
(4R,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487085
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone
CID 97385111
8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131678387
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane (CID 97486934) is (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane is CCN1C[C@@H](COC)[C@]2(CCN(Cc3ccoc3)C2)C1.
What is the InChIKey of (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is NLYQIEAQPCLCEY-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-17-9-15(11-19-2)16(12-17)5-6-18(13-16)8-14-4-7-20-10-14/h4,7,10,15H,3,5-6,8-9,11-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane?
(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 278.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97486934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).