[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium

C20H16NO+ — CID 58743312

IUPAC[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/p+1/t19-,20-/m0/s1
InChIKeyBJHKNYKLIAPAHD-PMACEKPBSA-O
MW286.35 g/mol
LogP1.82
Rot. Bonds3

About [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium

[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium (PubChem CID 58743312) has the molecular formula C20H16NO+ and a molecular weight of 286.35 g/mol. Its IUPAC name is [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium.

Molecular Properties

Compound Name[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium
PubChem CID58743312
Molecular FormulaC20H16NO+
Molecular Weight286.35 g/mol
Exact Mass286.12
IUPAC Name[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/p+1/t19-,20-/m0/s1
InChIKeyBJHKNYKLIAPAHD-PMACEKPBSA-O
XLogP1.82
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium?
The IUPAC name of [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium (CID 58743312) is [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium.
What is the SMILES notation for [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium?
The canonical SMILES for [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H]([NH3+])C(C)C.
What is the InChIKey of [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium?
The InChIKey is BJHKNYKLIAPAHD-PMACEKPBSA-O. The full InChI is InChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/p+1/t19-,20-/m0/s1.
What are the key properties of [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium?
[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium has a molecular weight of 286.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium is sourced from PubChem (CID 58743312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).