[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

C19H34NO+ — CID 11905875

IUPAC[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1
InChIInChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/p+1/t13-,14-,16-,17+/m0/s1
InChIKeyPGLKZBJSZVVTME-NXNVCVFFSA-O
MW292.49 g/mol
LogP4.03
Rot. Bonds5

About [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (PubChem CID 11905875) has the molecular formula C19H34NO+ and a molecular weight of 292.49 g/mol. Its IUPAC name is [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
PubChem CID11905875
Molecular FormulaC19H34NO+
Molecular Weight292.49 g/mol
Exact Mass292.26
IUPAC Name[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1
InChIInChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/p+1/t13-,14-,16-,17+/m0/s1
InChIKeyPGLKZBJSZVVTME-NXNVCVFFSA-O
XLogP4.03
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The IUPAC name of [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (CID 11905875) is [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.
What is the SMILES notation for [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The canonical SMILES for [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1.
What is the InChIKey of [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The InChIKey is PGLKZBJSZVVTME-NXNVCVFFSA-O. The full InChI is InChI=1S/C19H33NO/c1-13-8-7-9-17(16(13)4)20-14(2)12-19(5,6)18-11-10-15(3)21-18/h10-11,13-14,16-17,20H,7-9,12H2,1-6H3/p+1/t13-,14-,16-,17+/m0/s1.
What are the key properties of [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium has a molecular weight of 292.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is sourced from PubChem (CID 11905875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).