(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine

C19H27N3O2 — CID 129400618

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1
InChIInChI=1S/C19H27N3O2/c1-3-22-9-8-20-19(22)18-16(5-4-10-23-18)21-12-14-6-7-17(24-14)15-11-13(15)2/h6-9,13,15-16,18,21H,3-5,10-12H2,1-2H3/t13-,15+,16+,18+/m1/s1
InChIKeyGVUNRNNFCPEDJA-VKZRIFJHSA-N
MW329.44 g/mol
LogP3.63
Rot. Bonds6

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine (PubChem CID 129400618) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
PubChem CID129400618
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1
InChIInChI=1S/C19H27N3O2/c1-3-22-9-8-20-19(22)18-16(5-4-10-23-18)21-12-14-6-7-17(24-14)15-11-13(15)2/h6-9,13,15-16,18,21H,3-5,10-12H2,1-2H3/t13-,15+,16+,18+/m1/s1
InChIKeyGVUNRNNFCPEDJA-VKZRIFJHSA-N
XLogP3.63
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine (CID 129400618) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine?
The InChIKey is GVUNRNNFCPEDJA-VKZRIFJHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-22-9-8-20-19(22)18-16(5-4-10-23-18)21-12-14-6-7-17(24-14)15-11-13(15)2/h6-9,13,15-16,18,21H,3-5,10-12H2,1-2H3/t13-,15+,16+,18+/m1/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine has a molecular weight of 329.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine is sourced from PubChem (CID 129400618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).